(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol

C13H9BrClFO — CID 61101398

IUPAC(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9BrClFO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyXRASLJLAESTNNK-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol

(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol (PubChem CID 61101398) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
PubChem CID61101398
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9BrClFO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyXRASLJLAESTNNK-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
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(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
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(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
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[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
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(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
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4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol (CID 61101398) is (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol is OC(c1ccc(Br)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is XRASLJLAESTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H.
What are the key properties of (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol?
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol has a molecular weight of 315.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 61101398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).