(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol

C15H14BrClO3 — CID 116809848

IUPAC(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-11(17)10(16)8-9/h3-8,15,18H,1-2H3
InChIKeyBYZRDHKVQJZMRC-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.20
Rot. Bonds4

About (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol

(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 116809848) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
PubChem CID116809848
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H14BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-11(17)10(16)8-9/h3-8,15,18H,1-2H3
InChIKeyBYZRDHKVQJZMRC-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 107994881
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809674
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol (CID 116809848) is (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is BYZRDHKVQJZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)9-6-7-11(17)10(16)8-9/h3-8,15,18H,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol?
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 357.63 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 116809848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).