(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol

C18H21BrO — CID 81476235

IUPAC(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H21BrO/c1-3-4-5-14-7-10-15(11-8-14)18(20)16-9-6-13(2)17(19)12-16/h6-12,18,20H,3-5H2,1-2H3
InChIKeyXLAFSXWNQRSLKF-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.18
Rot. Bonds5

About (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol

(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol (PubChem CID 81476235) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
PubChem CID81476235
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H21BrO/c1-3-4-5-14-7-10-15(11-8-14)18(20)16-9-6-13(2)17(19)12-16/h6-12,18,20H,3-5H2,1-2H3
InChIKeyXLAFSXWNQRSLKF-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
bis(4-tridecylphenyl)methanol
CID 139673626
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
(4-butylphenyl)-(3-iodophenyl)methanol
CID 63426658
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324875
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
4-[bromo-(4-butylphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439924

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol (CID 81476235) is (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol is CCCCc1ccc(C(O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol?
The InChIKey is XLAFSXWNQRSLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-3-4-5-14-7-10-15(11-8-14)18(20)16-9-6-13(2)17(19)12-16/h6-12,18,20H,3-5H2,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol?
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol has a molecular weight of 333.27 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-butylphenyl)methanol is sourced from PubChem (CID 81476235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).