(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol

C18H19BrO — CID 115836232

IUPAC(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
SMILESCc1cc(Br)ccc1C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H19BrO/c1-12-11-16(19)9-10-17(12)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3
InChIKeyMSGFFEIXYBQEMS-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.11
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol

(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol (PubChem CID 115836232) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
PubChem CID115836232
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
SMILESCc1cc(Br)ccc1C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H19BrO/c1-12-11-16(19)9-10-17(12)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3
InChIKeyMSGFFEIXYBQEMS-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)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-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836289
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
CID 106855338
(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
CID 114601521
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol (CID 115836232) is (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol is Cc1cc(Br)ccc1C(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is MSGFFEIXYBQEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-11-16(19)9-10-17(12)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18,20H,2-4H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol?
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 331.25 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 115836232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).