1-methyl-3-(2-pentylphenyl)benzene

C18H22 — CID 54116278

IUPAC1-methyl-3-(2-pentylphenyl)benzene
SMILESCCCCCc1ccccc1-c1cccc(C)c1
InChIInChI=1S/C18H22/c1-3-4-5-10-16-11-6-7-13-18(16)17-12-8-9-15(2)14-17/h6-9,11-14H,3-5,10H2,1-2H3
InChIKeyLONUSTUUKHGISC-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.39
Rot. Bonds5

About 1-methyl-3-(2-pentylphenyl)benzene

1-methyl-3-(2-pentylphenyl)benzene (PubChem CID 54116278) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-3-(2-pentylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2-pentylphenyl)benzene
PubChem CID54116278
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-3-(2-pentylphenyl)benzene
SMILESCCCCCc1ccccc1-c1cccc(C)c1
InChIInChI=1S/C18H22/c1-3-4-5-10-16-11-6-7-13-18(16)17-12-8-9-15(2)14-17/h6-9,11-14H,3-5,10H2,1-2H3
InChIKeyLONUSTUUKHGISC-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-(3-methylphenyl)benzene
CID 174352877
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
CID 140633735
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
2-(2-butylphenyl)naphthalene
CID 58626566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pentylphenyl)benzene?
The IUPAC name of 1-methyl-3-(2-pentylphenyl)benzene (CID 54116278) is 1-methyl-3-(2-pentylphenyl)benzene.
What is the SMILES notation for 1-methyl-3-(2-pentylphenyl)benzene?
The canonical SMILES for 1-methyl-3-(2-pentylphenyl)benzene is CCCCCc1ccccc1-c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-(2-pentylphenyl)benzene?
The InChIKey is LONUSTUUKHGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-4-5-10-16-11-6-7-13-18(16)17-12-8-9-15(2)14-17/h6-9,11-14H,3-5,10H2,1-2H3.
What are the key properties of 1-methyl-3-(2-pentylphenyl)benzene?
1-methyl-3-(2-pentylphenyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pentylphenyl)benzene is sourced from PubChem (CID 54116278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).