1-methyl-3-(3-phenylbutyl)benzene

C17H20 — CID 173297999

IUPAC1-methyl-3-(3-phenylbutyl)benzene
SMILESCc1cccc(CCC(C)c2ccccc2)c1
InChIInChI=1S/C17H20/c1-14-7-6-8-16(13-14)12-11-15(2)17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3
InChIKeyXFMSIUUNCHORDJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.73
Rot. Bonds4

About 1-methyl-3-(3-phenylbutyl)benzene

1-methyl-3-(3-phenylbutyl)benzene (PubChem CID 173297999) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylbutyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(3-phenylbutyl)benzene
PubChem CID173297999
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-methyl-3-(3-phenylbutyl)benzene
SMILESCc1cccc(CCC(C)c2ccccc2)c1
InChIInChI=1S/C17H20/c1-14-7-6-8-16(13-14)12-11-15(2)17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3
InChIKeyXFMSIUUNCHORDJ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
CID 159443260
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenylbutyl)benzene?
The IUPAC name of 1-methyl-3-(3-phenylbutyl)benzene (CID 173297999) is 1-methyl-3-(3-phenylbutyl)benzene.
What is the SMILES notation for 1-methyl-3-(3-phenylbutyl)benzene?
The canonical SMILES for 1-methyl-3-(3-phenylbutyl)benzene is Cc1cccc(CCC(C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-(3-phenylbutyl)benzene?
The InChIKey is XFMSIUUNCHORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-14-7-6-8-16(13-14)12-11-15(2)17-9-4-3-5-10-17/h3-10,13,15H,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-(3-phenylbutyl)benzene?
1-methyl-3-(3-phenylbutyl)benzene has a molecular weight of 224.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenylbutyl)benzene is sourced from PubChem (CID 173297999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).