(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

C17H19BrO2 — CID 106679797

IUPAC(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrO2/c1-10-7-12(3)16(15(8-10)20-4)17(19)13-6-5-11(2)14(18)9-13/h5-9,17,19H,1-4H3
InChIKeyFXFMBXXWYKCBBH-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.46
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679797) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679797
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H19BrO2/c1-10-7-12(3)16(15(8-10)20-4)17(19)13-6-5-11(2)14(18)9-13/h5-9,17,19H,1-4H3
InChIKeyFXFMBXXWYKCBBH-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680190
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679797) is (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1ccc(C)c(Br)c1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is FXFMBXXWYKCBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-10-7-12(3)16(15(8-10)20-4)17(19)13-6-5-11(2)14(18)9-13/h5-9,17,19H,1-4H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol has a molecular weight of 335.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).