1-methoxy-4-(4-phenylhexan-2-yl)benzene

C19H24O — CID 134214893

IUPAC1-methoxy-4-(4-phenylhexan-2-yl)benzene
SMILESCCC(CC(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-4-16(18-8-6-5-7-9-18)14-15(2)17-10-12-19(20-3)13-11-17/h5-13,15-16H,4,14H2,1-3H3
InChIKeyXBUMJLIDLJQABW-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.38
Rot. Bonds6

About 1-methoxy-4-(4-phenylhexan-2-yl)benzene

1-methoxy-4-(4-phenylhexan-2-yl)benzene (PubChem CID 134214893) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-methoxy-4-(4-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-phenylhexan-2-yl)benzene
PubChem CID134214893
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-methoxy-4-(4-phenylhexan-2-yl)benzene
SMILESCCC(CC(C)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-4-16(18-8-6-5-7-9-18)14-15(2)17-10-12-19(20-3)13-11-17/h5-13,15-16H,4,14H2,1-3H3
InChIKeyXBUMJLIDLJQABW-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-(4-phenylhexan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-phenylhexan-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(4-phenylhexan-2-yl)benzene (CID 134214893) is 1-methoxy-4-(4-phenylhexan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(4-phenylhexan-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(4-phenylhexan-2-yl)benzene is CCC(CC(C)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-methoxy-4-(4-phenylhexan-2-yl)benzene?
The InChIKey is XBUMJLIDLJQABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-4-16(18-8-6-5-7-9-18)14-15(2)17-10-12-19(20-3)13-11-17/h5-13,15-16H,4,14H2,1-3H3.
What are the key properties of 1-methoxy-4-(4-phenylhexan-2-yl)benzene?
1-methoxy-4-(4-phenylhexan-2-yl)benzene has a molecular weight of 268.40 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-phenylhexan-2-yl)benzene is sourced from PubChem (CID 134214893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).