[3-methyl-4-(4-pentylphenyl)phenyl]methanol

C19H24O — CID 134271046

IUPAC[3-methyl-4-(4-pentylphenyl)phenyl]methanol
SMILESCCCCCc1ccc(-c2ccc(CO)cc2C)cc1
InChIInChI=1S/C19H24O/c1-3-4-5-6-16-7-10-18(11-8-16)19-12-9-17(14-20)13-15(19)2/h7-13,20H,3-6,14H2,1-2H3
InChIKeyBONPABULNJASJC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.89
Rot. Bonds6

About [3-methyl-4-(4-pentylphenyl)phenyl]methanol

[3-methyl-4-(4-pentylphenyl)phenyl]methanol (PubChem CID 134271046) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is [3-methyl-4-(4-pentylphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(4-pentylphenyl)phenyl]methanol
PubChem CID134271046
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name[3-methyl-4-(4-pentylphenyl)phenyl]methanol
SMILESCCCCCc1ccc(-c2ccc(CO)cc2C)cc1
InChIInChI=1S/C19H24O/c1-3-4-5-6-16-7-10-18(11-8-16)19-12-9-17(14-20)13-15(19)2/h7-13,20H,3-6,14H2,1-2H3
InChIKeyBONPABULNJASJC-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-methyl-4-(4-pentylphenyl)phenyl]methanol 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

1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,5,8,11,20-pentakis(4-octylphenyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 101237602
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-pentylphenyl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(4-pentylphenyl)phenyl]methanol (CID 134271046) is [3-methyl-4-(4-pentylphenyl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(4-pentylphenyl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(4-pentylphenyl)phenyl]methanol is CCCCCc1ccc(-c2ccc(CO)cc2C)cc1.
What is the InChIKey of [3-methyl-4-(4-pentylphenyl)phenyl]methanol?
The InChIKey is BONPABULNJASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-4-5-6-16-7-10-18(11-8-16)19-12-9-17(14-20)13-15(19)2/h7-13,20H,3-6,14H2,1-2H3.
What are the key properties of [3-methyl-4-(4-pentylphenyl)phenyl]methanol?
[3-methyl-4-(4-pentylphenyl)phenyl]methanol has a molecular weight of 268.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-pentylphenyl)phenyl]methanol is sourced from PubChem (CID 134271046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).