(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol

C15H13Br2ClO3 — CID 114374763

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15,19H,1-2H3
InChIKeyQJZIHUGEAKBIBG-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.96
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol

(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol (PubChem CID 114374763) has the molecular formula C15H13Br2ClO3 and a molecular weight of 436.53 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
PubChem CID114374763
Molecular FormulaC15H13Br2ClO3
Molecular Weight436.53 g/mol
Exact Mass433.89
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H13Br2ClO3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15,19H,1-2H3
InChIKeyQJZIHUGEAKBIBG-UHFFFAOYSA-N
XLogP4.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
(5-bromo-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanol
CID 61081523

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol (CID 114374763) is (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol is COc1cc(Cl)c(C(O)c2cc(Br)ccc2Br)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol?
The InChIKey is QJZIHUGEAKBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-5-8(16)3-4-11(9)17/h3-7,15,19H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol?
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol has a molecular weight of 436.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 114374763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).