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

C14H13ClO — CID 53218974

IUPAC4-(3-chloro-5-methylphenyl)-2-methylphenol
SMILESCc1cc(Cl)cc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C14H13ClO/c1-9-5-12(8-13(15)6-9)11-3-4-14(16)10(2)7-11/h3-8,16H,1-2H3
InChIKeyGNGXRLDIJQMDFA-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.33
Rot. Bonds1

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

4-(3-chloro-5-methylphenyl)-2-methylphenol (PubChem CID 53218974) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(3-chloro-5-methylphenyl)-2-methylphenol.

Molecular Properties

Compound Name4-(3-chloro-5-methylphenyl)-2-methylphenol
PubChem CID53218974
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name4-(3-chloro-5-methylphenyl)-2-methylphenol
SMILESCc1cc(Cl)cc(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C14H13ClO/c1-9-5-12(8-13(15)6-9)11-3-4-14(16)10(2)7-11/h3-8,16H,1-2H3
InChIKeyGNGXRLDIJQMDFA-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methylphenyl)-2-methylphenol?
The IUPAC name of 4-(3-chloro-5-methylphenyl)-2-methylphenol (CID 53218974) is 4-(3-chloro-5-methylphenyl)-2-methylphenol.
What is the SMILES notation for 4-(3-chloro-5-methylphenyl)-2-methylphenol?
The canonical SMILES for 4-(3-chloro-5-methylphenyl)-2-methylphenol is Cc1cc(Cl)cc(-c2ccc(O)c(C)c2)c1.
What is the InChIKey of 4-(3-chloro-5-methylphenyl)-2-methylphenol?
The InChIKey is GNGXRLDIJQMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-9-5-12(8-13(15)6-9)11-3-4-14(16)10(2)7-11/h3-8,16H,1-2H3.
What are the key properties of 4-(3-chloro-5-methylphenyl)-2-methylphenol?
4-(3-chloro-5-methylphenyl)-2-methylphenol has a molecular weight of 232.71 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methylphenyl)-2-methylphenol is sourced from PubChem (CID 53218974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).