1-methoxy-4-(6-phenylhexyl)benzene

C19H24O — CID 54077830

IUPAC1-methoxy-4-(6-phenylhexyl)benzene
SMILESCOc1ccc(CCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-20-19-15-13-18(14-16-19)12-6-3-2-5-9-17-10-7-4-8-11-17/h4,7-8,10-11,13-16H,2-3,5-6,9,12H2,1H3
InChIKeyFHLKPZDBEPKKFC-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.04
Rot. Bonds8

About 1-methoxy-4-(6-phenylhexyl)benzene

1-methoxy-4-(6-phenylhexyl)benzene (PubChem CID 54077830) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-methoxy-4-(6-phenylhexyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(6-phenylhexyl)benzene
PubChem CID54077830
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-methoxy-4-(6-phenylhexyl)benzene
SMILESCOc1ccc(CCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-20-19-15-13-18(14-16-19)12-6-3-2-5-9-17-10-7-4-8-11-17/h4,7-8,10-11,13-16H,2-3,5-6,9,12H2,1H3
InChIKeyFHLKPZDBEPKKFC-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
trimethoxy(12-phenyldodecyl)silane
CID 54325157

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(6-phenylhexyl)benzene?
The IUPAC name of 1-methoxy-4-(6-phenylhexyl)benzene (CID 54077830) is 1-methoxy-4-(6-phenylhexyl)benzene.
What is the SMILES notation for 1-methoxy-4-(6-phenylhexyl)benzene?
The canonical SMILES for 1-methoxy-4-(6-phenylhexyl)benzene is COc1ccc(CCCCCCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(6-phenylhexyl)benzene?
The InChIKey is FHLKPZDBEPKKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-20-19-15-13-18(14-16-19)12-6-3-2-5-9-17-10-7-4-8-11-17/h4,7-8,10-11,13-16H,2-3,5-6,9,12H2,1H3.
What are the key properties of 1-methoxy-4-(6-phenylhexyl)benzene?
1-methoxy-4-(6-phenylhexyl)benzene has a molecular weight of 268.40 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(6-phenylhexyl)benzene is sourced from PubChem (CID 54077830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).