1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene

C136H164N2O10 — CID 160916823

IUPAC1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H14.C14H14O.C13H20O.2C13H14.C12H15NO2.C11H16O3.C11H16O2.C9H9N.C9H12.C8H10O.C8H10/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h2-12H,1H3;3-11H,2H2,1H3;7-10H,3-6,11H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,6-10H,2,5H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeySRMVSTHGKACBTN-UHFFFAOYSA-N
MW1986.81 g/mol
LogP35.87
Rot. Bonds31

About 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene

1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene (PubChem CID 160916823) has the molecular formula C136H164N2O10 and a molecular weight of 1986.81 g/mol. Its IUPAC name is 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene.

Molecular Properties

Compound Name1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene
PubChem CID160916823
Molecular FormulaC136H164N2O10
Molecular Weight1986.81 g/mol
Exact Mass1985.24
IUPAC Name1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene
SMILESCC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H14.C14H14O.C13H20O.2C13H14.C12H15NO2.C11H16O3.C11H16O2.C9H9N.C9H12.C8H10O.C8H10/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h2-12H,1H3;3-11H,2H2,1H3;7-10H,3-6,11H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,6-10H,2,5H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3
InChIKeySRMVSTHGKACBTN-UHFFFAOYSA-N
XLogP35.87
TPSA134.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001986.81
LogP ≤ 535.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene with MolForge

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Related Compounds

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CID 122185643
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CID 164616301
Ochrindole A
CID 10004010
Ochrindole C
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Ochrindole B
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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene?
The IUPAC name of 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene (CID 160916823) is 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene.
What is the SMILES notation for 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene?
The canonical SMILES for 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene is CC=C(c1ccccc1)c1ccccc1.CCCCOc1ccc(CCC)cc1.CCCc1ccc2ccccc2c1.CCCc1cccc2ccccc12.CCc1cc(OC)c(OC)c(OC)c1.CCc1ccc(C)cc1.CCc1ccc(O)cc1.CCc1ccc(OCCOC)cc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.COCCOc1ccc2[nH]cc(C)c2c1.Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene?
The InChIKey is SRMVSTHGKACBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C14H14O.C13H20O.2C13H14.C12H15NO2.C11H16O3.C11H16O2.C9H9N.C9H12.C8H10O.C8H10/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-3-5-11-14-13-9-7-12(6-4-2)8-10-13;1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-9-8-13-12-4-3-10(7-11(9)12)15-6-5-14-2;1-5-8-6-9(12-2)11(14-4)10(7-8)13-3;1-3-10-4-6-11(7-5-10)13-9-8-12-2;1-7-6-10-9-5-3-2-4-8(7)9;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h2-12H,1H3;3-11H,2H2,1H3;7-10H,3-6,11H2,1-2H3;3-5,7-10H,2,6H2,1H3;3-4,6-10H,2,5H2,1H3;3-4,7-8,13H,5-6H2,1-2H3;6-7H,5H2,1-4H3;4-7H,3,8-9H2,1-2H3;2-6,10H,1H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3.
What are the key properties of 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene?
1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene has a molecular weight of 1986.81 g/mol, XLogP of 35.87, 31 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-propylbenzene;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;3-methyl-1H-indole;1-phenylprop-1-enylbenzene;1-propylnaphthalene;2-propylnaphthalene is sourced from PubChem (CID 160916823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).