(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol

C14H11BrClFO — CID 106761323

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C14H11BrClFO/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)12(16)13(10)17/h2-7,14,18H,1H3
InChIKeyZMEZHJZTYDNRCW-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.63
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol (PubChem CID 106761323) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
PubChem CID106761323
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C14H11BrClFO/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)12(16)13(10)17/h2-7,14,18H,1H3
InChIKeyZMEZHJZTYDNRCW-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 106762147
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol (CID 106761323) is (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(Br)c(Cl)c2F)cc1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol?
The InChIKey is ZMEZHJZTYDNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)12(16)13(10)17/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol has a molecular weight of 329.60 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol is sourced from PubChem (CID 106761323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).