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

C16H17BrO4 — CID 105057045

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C16H17BrO4/c1-19-11-6-4-5-10(7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16,18H,1-3H3
InChIKeyNBUCGGUPJFDSTN-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.56
Rot. Bonds5

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

(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol (PubChem CID 105057045) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
PubChem CID105057045
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C16H17BrO4/c1-19-11-6-4-5-10(7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16,18H,1-3H3
InChIKeyNBUCGGUPJFDSTN-UHFFFAOYSA-N
XLogP3.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanol
CID 174438652

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol (CID 105057045) is (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2cc(OC)c(Br)cc2OC)c1.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
The InChIKey is NBUCGGUPJFDSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-19-11-6-4-5-10(7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16,18H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol has a molecular weight of 353.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 105057045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).