1-(4-methylpentyl)-3-phenylbenzene

C18H22 — CID 19790542

IUPAC1-(4-methylpentyl)-3-phenylbenzene
SMILESCC(C)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22/c1-15(2)8-6-9-16-10-7-13-18(14-16)17-11-4-3-5-12-17/h3-5,7,10-15H,6,8-9H2,1-2H3
InChIKeyBIYMSAWIALUVTR-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.33
Rot. Bonds5

About 1-(4-methylpentyl)-3-phenylbenzene

1-(4-methylpentyl)-3-phenylbenzene (PubChem CID 19790542) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(4-methylpentyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(4-methylpentyl)-3-phenylbenzene
PubChem CID19790542
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(4-methylpentyl)-3-phenylbenzene
SMILESCC(C)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22/c1-15(2)8-6-9-16-10-7-13-18(14-16)17-11-4-3-5-12-17/h3-5,7,10-15H,6,8-9H2,1-2H3
InChIKeyBIYMSAWIALUVTR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
CID 91174797
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-phenyl-3-propylbenzene
CID 4110465
4-(3-phenylphenyl)butan-1-amine
CID 117324209
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
3-(4-methylpentyl)benzaldehyde
CID 139685907
2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal
CID 174599880
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-3-phenylbenzene?
The IUPAC name of 1-(4-methylpentyl)-3-phenylbenzene (CID 19790542) is 1-(4-methylpentyl)-3-phenylbenzene.
What is the SMILES notation for 1-(4-methylpentyl)-3-phenylbenzene?
The canonical SMILES for 1-(4-methylpentyl)-3-phenylbenzene is CC(C)CCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(4-methylpentyl)-3-phenylbenzene?
The InChIKey is BIYMSAWIALUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-15(2)8-6-9-16-10-7-13-18(14-16)17-11-4-3-5-12-17/h3-5,7,10-15H,6,8-9H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-3-phenylbenzene?
1-(4-methylpentyl)-3-phenylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-3-phenylbenzene is sourced from PubChem (CID 19790542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).