(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol

C16H17BrO3 — CID 61080516

IUPAC(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1C
InChIInChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)19-2)16(18)12-5-7-15(20-3)13(17)9-12/h4-9,16,18H,1-3H3
InChIKeyHUMTVQKZPWPZJO-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.86
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol

(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol (PubChem CID 61080516) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
PubChem CID61080516
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1C
InChIInChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)19-2)16(18)12-5-7-15(20-3)13(17)9-12/h4-9,16,18H,1-3H3
InChIKeyHUMTVQKZPWPZJO-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

2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 61100814
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol (CID 61080516) is (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol is COc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1C.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol?
The InChIKey is HUMTVQKZPWPZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-10-8-11(4-6-14(10)19-2)16(18)12-5-7-15(20-3)13(17)9-12/h4-9,16,18H,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-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 (3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol is sourced from PubChem (CID 61080516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).