3-(4-chloro-2-methoxyphenyl)-5-methylphenol

C14H13ClO2 — CID 53219061

IUPAC3-(4-chloro-2-methoxyphenyl)-5-methylphenol
SMILESCOc1cc(Cl)ccc1-c1cc(C)cc(O)c1
InChIInChI=1S/C14H13ClO2/c1-9-5-10(7-12(16)6-9)13-4-3-11(15)8-14(13)17-2/h3-8,16H,1-2H3
InChIKeyJVWYHTIUPUJOML-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.03
Rot. Bonds2

About 3-(4-chloro-2-methoxyphenyl)-5-methylphenol

3-(4-chloro-2-methoxyphenyl)-5-methylphenol (PubChem CID 53219061) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-5-methylphenol.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-5-methylphenol
PubChem CID53219061
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name3-(4-chloro-2-methoxyphenyl)-5-methylphenol
SMILESCOc1cc(Cl)ccc1-c1cc(C)cc(O)c1
InChIInChI=1S/C14H13ClO2/c1-9-5-10(7-12(16)6-9)13-4-3-11(15)8-14(13)17-2/h3-8,16H,1-2H3
InChIKeyJVWYHTIUPUJOML-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
3-chloro-5-(2-methoxyphenyl)phenol
CID 53221223
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
CID 67255854
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
3-(4-chloro-2-methoxyphenyl)-5-methyl-1H-pyrrole-2,4-diol
CID 91392778
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
CID 20766185

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methylphenol?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methylphenol (CID 53219061) is 3-(4-chloro-2-methoxyphenyl)-5-methylphenol.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-5-methylphenol?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-5-methylphenol is COc1cc(Cl)ccc1-c1cc(C)cc(O)c1.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-5-methylphenol?
The InChIKey is JVWYHTIUPUJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-9-5-10(7-12(16)6-9)13-4-3-11(15)8-14(13)17-2/h3-8,16H,1-2H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-5-methylphenol?
3-(4-chloro-2-methoxyphenyl)-5-methylphenol has a molecular weight of 248.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-5-methylphenol is sourced from PubChem (CID 53219061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).