(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

C16H16BrClO3 — CID 81293426

IUPAC(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-12(17)13(18)7-10/h4-8,16,19H,1-3H3
InChIKeyQXORGNQPOOTHIY-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.51
Rot. Bonds4

About (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 81293426) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID81293426
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-12(17)13(18)7-10/h4-8,16,19H,1-3H3
InChIKeyQXORGNQPOOTHIY-UHFFFAOYSA-N
XLogP4.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
CID 61080761
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 81294064
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 81293426) is (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2ccc(Br)c(Cl)c2)cc1OC.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is QXORGNQPOOTHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-12(17)13(18)7-10/h4-8,16,19H,1-3H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol has a molecular weight of 371.66 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 81293426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).