3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene

C112H151N3O — CID 161443803

IUPAC3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
SMILESCC(C)CC1=CNCN1.CC(C)CC1CCCCC1.CC(C)CCc1ccc(-c2ccccc2)cc1.CC(C)CCc1ccc(O)cc1.CC(C)CCc1ccccc1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H20.C16H18.2C14H16.C12H15N.C11H16O.C11H16.C10H20.C7H14N2/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)3-7-4-8-5-9-7/h3-7,10-14H,8-9H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;5-9,12H,3-4H2,1-2H3;3-7,10H,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4,6,8-9H,3,5H2,1-2H3
InChIKeyVZPZQHQYURSWIW-UHFFFAOYSA-N
MW1555.46 g/mol
LogP31.83
Rot. Bonds23

About 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene

3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene (PubChem CID 161443803) has the molecular formula C112H151N3O and a molecular weight of 1555.46 g/mol. Its IUPAC name is 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene.

Molecular Properties

Compound Name3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
PubChem CID161443803
Molecular FormulaC112H151N3O
Molecular Weight1555.46 g/mol
Exact Mass1554.19
IUPAC Name3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
SMILESCC(C)CC1=CNCN1.CC(C)CC1CCCCC1.CC(C)CCc1ccc(-c2ccccc2)cc1.CC(C)CCc1ccc(O)cc1.CC(C)CCc1ccccc1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H20.C16H18.2C14H16.C12H15N.C11H16O.C11H16.C10H20.C7H14N2/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)3-7-4-8-5-9-7/h3-7,10-14H,8-9H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;5-9,12H,3-4H2,1-2H3;3-7,10H,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4,6,8-9H,3,5H2,1-2H3
InChIKeyVZPZQHQYURSWIW-UHFFFAOYSA-N
XLogP31.83
TPSA60.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001555.46
LogP ≤ 531.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1H-pyrrole;methane;3-methylbutylbenzene;1-(3-methylbutyl)-4-phenylbenzene;1-methyl-4-(3-methylbutyl)benzene;2-methylpropylcyclohexane;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
CID 162269059
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 19946408
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxo-3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butanoic acid
CID 171390208
(3S)-3-[[2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetyl]amino]-4-[[(2S)-1-[[1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 122546807
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 19949426
4-amino-5-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22699990
CID 159918128
CID 159918128
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18299895
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 19950037
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 19946197
2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19949498
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 145456542

Frequently Asked Questions

What is the IUPAC name of 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?
The IUPAC name of 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene (CID 161443803) is 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene.
What is the SMILES notation for 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?
The canonical SMILES for 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene is CC(C)CC1=CNCN1.CC(C)CC1CCCCC1.CC(C)CCc1ccc(-c2ccccc2)cc1.CC(C)CCc1ccc(O)cc1.CC(C)CCc1ccccc1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.
What is the InChIKey of 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?
The InChIKey is VZPZQHQYURSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C16H18.2C14H16.C12H15N.C11H16O.C11H16.C10H20.C7H14N2/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)3-4-10-5-7-11(12)8-6-10;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-6(2)3-7-4-8-5-9-7/h3-7,10-14H,8-9H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-6,8-9,13H,7H2,1-2H3;5-9,12H,3-4H2,1-2H3;3-7,10H,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene?
3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene has a molecular weight of 1555.46 g/mol, XLogP of 31.83, 23 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene is sourced from PubChem (CID 161443803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).