[4-(4-chloro-2-methylphenoxy)phenyl]methanol

C14H13ClO2 — CID 28946141

IUPAC[4-(4-chloro-2-methylphenoxy)phenyl]methanol
SMILESCc1cc(Cl)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13ClO2/c1-10-8-12(15)4-7-14(10)17-13-5-2-11(9-16)3-6-13/h2-8,16H,9H2,1H3
InChIKeyQMWQOALTKIYRPE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.93
Rot. Bonds3

About [4-(4-chloro-2-methylphenoxy)phenyl]methanol

[4-(4-chloro-2-methylphenoxy)phenyl]methanol (PubChem CID 28946141) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is [4-(4-chloro-2-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-2-methylphenoxy)phenyl]methanol
PubChem CID28946141
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name[4-(4-chloro-2-methylphenoxy)phenyl]methanol
SMILESCc1cc(Cl)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C14H13ClO2/c1-10-8-12(15)4-7-14(10)17-13-5-2-11(9-16)3-6-13/h2-8,16H,9H2,1H3
InChIKeyQMWQOALTKIYRPE-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
CID 62122969
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
CID 114064510
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
CID 43369995
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
[4-(2,3-dimethylphenoxy)phenyl]methanol
CID 28946045
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-methylphenoxy)phenyl]methanol?
The IUPAC name of [4-(4-chloro-2-methylphenoxy)phenyl]methanol (CID 28946141) is [4-(4-chloro-2-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [4-(4-chloro-2-methylphenoxy)phenyl]methanol?
The canonical SMILES for [4-(4-chloro-2-methylphenoxy)phenyl]methanol is Cc1cc(Cl)ccc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-(4-chloro-2-methylphenoxy)phenyl]methanol?
The InChIKey is QMWQOALTKIYRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-10-8-12(15)4-7-14(10)17-13-5-2-11(9-16)3-6-13/h2-8,16H,9H2,1H3.
What are the key properties of [4-(4-chloro-2-methylphenoxy)phenyl]methanol?
[4-(4-chloro-2-methylphenoxy)phenyl]methanol has a molecular weight of 248.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 28946141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).