(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol

C14H11Br3O2 — CID 115369715

IUPAC(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br3O2/c1-19-13-7-9(16)2-4-10(13)14(18)11-6-8(15)3-5-12(11)17/h2-7,14,18H,1H3
InChIKeyOJZHCASGRJAQBF-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.06
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol

(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol (PubChem CID 115369715) has the molecular formula C14H11Br3O2 and a molecular weight of 450.95 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
PubChem CID115369715
Molecular FormulaC14H11Br3O2
Molecular Weight450.95 g/mol
Exact Mass447.83
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br3O2/c1-19-13-7-9(16)2-4-10(13)14(18)11-6-8(15)3-5-12(11)17/h2-7,14,18H,1H3
InChIKeyOJZHCASGRJAQBF-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol (CID 115369715) is (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol is COc1cc(Br)ccc1C(O)c1cc(Br)ccc1Br.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol?
The InChIKey is OJZHCASGRJAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3O2/c1-19-13-7-9(16)2-4-10(13)14(18)11-6-8(15)3-5-12(11)17/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol?
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol has a molecular weight of 450.95 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 115369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).