[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol

C14H12BrClO2 — CID 63540802

IUPAC[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClO2/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3
InChIKeyFZGQRHCANLNMPQ-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.70
Rot. Bonds3

About [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol

[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol (PubChem CID 63540802) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
PubChem CID63540802
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClO2/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3
InChIKeyFZGQRHCANLNMPQ-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-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]methanol
CID 107659090
N-[[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63553129
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
[4-(2,5-dimethyl-4-nitrophenoxy)-3-methylphenyl]methanol
CID 63184821
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol?
The IUPAC name of [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol (CID 63540802) is [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol is Cc1cc(CO)ccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol?
The InChIKey is FZGQRHCANLNMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7,17H,8H2,1H3.
What are the key properties of [4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol?
[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]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-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 63540802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).