4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol

C17H18ClFO2 — CID 126651136

IUPAC4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OCC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C17H18ClFO2/c1-10(2)9-21-12-4-5-16(19)13(7-12)14-8-15(18)11(3)6-17(14)20/h4-8,10,20H,9H2,1-3H3
InChIKeyKCUVYGBDNFNRRR-UHFFFAOYSA-N
MW308.78 g/mol
LogP5.19
Rot. Bonds4

About 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol

4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol (PubChem CID 126651136) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol
PubChem CID126651136
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OCC(C)C)ccc2F)cc1Cl
InChIInChI=1S/C17H18ClFO2/c1-10(2)9-21-12-4-5-16(19)13(7-12)14-8-15(18)11(3)6-17(14)20/h4-8,10,20H,9H2,1-3H3
InChIKeyKCUVYGBDNFNRRR-UHFFFAOYSA-N
XLogP5.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.78
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 14484922
CID 14484922
CID 15840100
CID 15840100
CID 172552
CID 172552
CID 70686836
CID 70686836
CID 134222761
CID 134222761
CID 153537
CID 153537
CID 103041744
CID 103041744
CID 103041750
CID 103041750
CID 103041751
CID 103041751
CID 103041987
CID 103041987
CID 103041990
CID 103041990
CID 103046922
CID 103046922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol?
The IUPAC name of 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol (CID 126651136) is 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol.
What is the SMILES notation for 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol?
The canonical SMILES for 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol is Cc1cc(O)c(-c2cc(OCC(C)C)ccc2F)cc1Cl.
What is the InChIKey of 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol?
The InChIKey is KCUVYGBDNFNRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-10(2)9-21-12-4-5-16(19)13(7-12)14-8-15(18)11(3)6-17(14)20/h4-8,10,20H,9H2,1-3H3.
What are the key properties of 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol?
4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol has a molecular weight of 308.78 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-fluoro-5-(2-methylpropoxy)phenyl]-5-methylphenol is sourced from PubChem (CID 126651136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).