(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol

C18H21ClO — CID 81324875

IUPAC(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO/c1-3-4-5-14-6-8-15(9-7-14)18(20)16-10-13(2)11-17(19)12-16/h6-12,18,20H,3-5H2,1-2H3
InChIKeyFNMPZIONIYFZSU-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.07
Rot. Bonds5

About (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol

(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 81324875) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID81324875
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C18H21ClO/c1-3-4-5-14-6-8-15(9-7-14)18(20)16-10-13(2)11-17(19)12-16/h6-12,18,20H,3-5H2,1-2H3
InChIKeyFNMPZIONIYFZSU-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-butylphenyl)-(3-chloro-5-methylphenyl)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

(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
bis(4-tridecylphenyl)methanol
CID 139673626
1-[(4-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431301
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
(4-butylphenyl)-(5-chlorofuran-2-yl)methanol
CID 106688839
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
1-butyl-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63431815
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol (CID 81324875) is (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol is CCCCc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is FNMPZIONIYFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-3-4-5-14-6-8-15(9-7-14)18(20)16-10-13(2)11-17(19)12-16/h6-12,18,20H,3-5H2,1-2H3.
What are the key properties of (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol?
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol has a molecular weight of 288.82 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 81324875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).