(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol

C14H11BrClFO2 — CID 81437123

IUPAC(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)c(F)c2)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-19-13-7-9(3-5-11(13)16)14(18)8-2-4-10(15)12(17)6-8/h2-7,14,18H,1H3
InChIKeyZRRNCTAWKHSKLN-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.33
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol

(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol (PubChem CID 81437123) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
PubChem CID81437123
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)c(F)c2)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-19-13-7-9(3-5-11(13)16)14(18)8-2-4-10(15)12(17)6-8/h2-7,14,18H,1H3
InChIKeyZRRNCTAWKHSKLN-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
1-bromo-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
1-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447592
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol (CID 81437123) is (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(Br)c(F)c2)ccc1Cl.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The InChIKey is ZRRNCTAWKHSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-19-13-7-9(3-5-11(13)16)14(18)8-2-4-10(15)12(17)6-8/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol has a molecular weight of 345.60 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 81437123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).