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

C16H17BrO3 — CID 115821609

IUPAC(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H17BrO3/c1-10-4-5-12(17)8-15(10)16(18)11-6-13(19-2)9-14(7-11)20-3/h4-9,16,18H,1-3H3
InChIKeySBPLQGPLVHUXEV-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.86
Rot. Bonds4

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

(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol (PubChem CID 115821609) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol
PubChem CID115821609
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H17BrO3/c1-10-4-5-12(17)8-15(10)16(18)11-6-13(19-2)9-14(7-11)20-3/h4-9,16,18H,1-3H3
InChIKeySBPLQGPLVHUXEV-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

(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
CID 65306945
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol (CID 115821609) is (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2cc(Br)ccc2C)c1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol?
The InChIKey is SBPLQGPLVHUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-10-4-5-12(17)8-15(10)16(18)11-6-13(19-2)9-14(7-11)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol?
(5-bromo-2-methylphenyl)-(3,5-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 (5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 115821609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).