(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol

C16H17BrO3 — CID 65313436

IUPAC(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2OC)c(C)c1
InChIInChI=1S/C16H17BrO3/c1-10-8-12(19-2)5-6-13(10)16(18)14-9-11(17)4-7-15(14)20-3/h4-9,16,18H,1-3H3
InChIKeyWAKOBMSXEWEIPN-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.86
Rot. Bonds4

About (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol

(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol (PubChem CID 65313436) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
PubChem CID65313436
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2OC)c(C)c1
InChIInChI=1S/C16H17BrO3/c1-10-8-12(19-2)5-6-13(10)16(18)14-9-11(17)4-7-15(14)20-3/h4-9,16,18H,1-3H3
InChIKeyWAKOBMSXEWEIPN-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

(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol (CID 65313436) is (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2cc(Br)ccc2OC)c(C)c1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is WAKOBMSXEWEIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-10-8-12(19-2)5-6-13(10)16(18)14-9-11(17)4-7-15(14)20-3/h4-9,16,18H,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol?
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)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-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 65313436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).