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

C14H10BrF3O2 — CID 103303339

IUPAC(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10BrF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6,14,19H,1H3
InChIKeyRZMOPPFBSRXADF-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.96
Rot. Bonds3

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

(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 103303339) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
PubChem CID103303339
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10BrF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6,14,19H,1H3
InChIKeyRZMOPPFBSRXADF-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302420
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61082273

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol (CID 103303339) is (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol is COc1cc(Br)ccc1C(O)c1cc(F)c(F)cc1F.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is RZMOPPFBSRXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c1-20-13-4-7(15)2-3-8(13)14(19)9-5-11(17)12(18)6-10(9)16/h2-6,14,19H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol has a molecular weight of 347.13 g/mol, XLogP of 3.96, 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)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103303339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).