(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol

C16H17BrO3 — CID 81111618

IUPAC(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)ccc2Br)cc1OC
InChIInChI=1S/C16H17BrO3/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16,18H,1-3H3
InChIKeyVOQLJPMWGYEWNQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.86
Rot. Bonds4

About (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol

(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol (PubChem CID 81111618) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
PubChem CID81111618
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)ccc2Br)cc1OC
InChIInChI=1S/C16H17BrO3/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16,18H,1-3H3
InChIKeyVOQLJPMWGYEWNQ-UHFFFAOYSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol (CID 81111618) is (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)ccc2Br)cc1OC.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The InChIKey is VOQLJPMWGYEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-10-4-6-13(17)12(8-10)16(18)11-5-7-14(19-2)15(9-11)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol has a molecular weight of 337.21 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 81111618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).