(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol

C18H19BrO — CID 114601521

IUPAC(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2C2CCC2)ccc1Br
InChIInChI=1S/C18H19BrO/c1-12-11-14(9-10-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3
InChIKeyCGVHUMFMNJGIJS-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.11
Rot. Bonds3

About (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol

(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol (PubChem CID 114601521) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
PubChem CID114601521
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2C2CCC2)ccc1Br
InChIInChI=1S/C18H19BrO/c1-12-11-14(9-10-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3
InChIKeyCGVHUMFMNJGIJS-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

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Related Compounds

(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114601272
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
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CID 79982940
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
(2-cyclopropylphenyl)-(4-propylphenyl)methanol
CID 79982407
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol?
The IUPAC name of (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol (CID 114601521) is (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol is Cc1cc(C(O)c2ccccc2C2CCC2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol?
The InChIKey is CGVHUMFMNJGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-12-11-14(9-10-17(12)19)18(20)16-8-3-2-7-15(16)13-5-4-6-13/h2-3,7-11,13,18,20H,4-6H2,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2-cyclobutylphenyl)methanol?
(4-bromo-3-methylphenyl)-(2-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-3-methylphenyl)-(2-cyclobutylphenyl)methanol is sourced from PubChem (CID 114601521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).