(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol

C14H11BrCl2O2 — CID 61100992

IUPAC(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H11BrCl2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7,14,18H,1H3
InChIKeyGQYXASHPPQVLQR-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.85
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol

(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol (PubChem CID 61100992) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
PubChem CID61100992
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H11BrCl2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7,14,18H,1H3
InChIKeyGQYXASHPPQVLQR-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol (CID 61100992) is (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol is COc1ccc(C(O)c2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
The InChIKey is GQYXASHPPQVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol has a molecular weight of 362.05 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 61100992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).