[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol

C14H12BrClO2 — CID 114064332

IUPAC[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-7,17H,8H2,1H3
InChIKeyFKUDEXIBAPUCPG-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.70
Rot. Bonds3

About [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol

[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol (PubChem CID 114064332) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
PubChem CID114064332
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
SMILESCc1ccc(Oc2ccc(CO)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-7,17H,8H2,1H3
InChIKeyFKUDEXIBAPUCPG-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
CID 114064174
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
CID 114060386
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
CID 113387912
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693554
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
[2-chloro-4-(3-ethylphenoxy)phenyl]methanol
CID 114064321

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol?
The IUPAC name of [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol (CID 114064332) is [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol.
What is the SMILES notation for [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol?
The canonical SMILES for [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol is Cc1ccc(Oc2ccc(CO)c(Cl)c2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol?
The InChIKey is FKUDEXIBAPUCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-9-2-5-14(12(15)6-9)18-11-4-3-10(8-17)13(16)7-11/h2-7,17H,8H2,1H3.
What are the key properties of [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol?
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol has a molecular weight of 327.61 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol is sourced from PubChem (CID 114064332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).