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

C19H20ClFO3 — CID 126677498

IUPAC4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OCC3CCOCC3)ccc2F)cc1Cl
InChIInChI=1S/C19H20ClFO3/c1-12-8-19(22)16(10-17(12)20)15-9-14(2-3-18(15)21)24-11-13-4-6-23-7-5-13/h2-3,8-10,13,22H,4-7,11H2,1H3
InChIKeyHSXUWOILJDSHOV-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.97
Rot. Bonds4

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

4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol (PubChem CID 126677498) has the molecular formula C19H20ClFO3 and a molecular weight of 350.82 g/mol. Its IUPAC name is 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol.

Molecular Properties

Compound Name4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol
PubChem CID126677498
Molecular FormulaC19H20ClFO3
Molecular Weight350.82 g/mol
Exact Mass350.11
IUPAC Name4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol
SMILESCc1cc(O)c(-c2cc(OCC3CCOCC3)ccc2F)cc1Cl
InChIInChI=1S/C19H20ClFO3/c1-12-8-19(22)16(10-17(12)20)15-9-14(2-3-18(15)21)24-11-13-4-6-23-7-5-13/h2-3,8-10,13,22H,4-7,11H2,1H3
InChIKeyHSXUWOILJDSHOV-UHFFFAOYSA-N
XLogP4.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol?
The IUPAC name of 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol (CID 126677498) is 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol.
What is the SMILES notation for 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol?
The canonical SMILES for 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol is Cc1cc(O)c(-c2cc(OCC3CCOCC3)ccc2F)cc1Cl.
What is the InChIKey of 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol?
The InChIKey is HSXUWOILJDSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFO3/c1-12-8-19(22)16(10-17(12)20)15-9-14(2-3-18(15)21)24-11-13-4-6-23-7-5-13/h2-3,8-10,13,22H,4-7,11H2,1H3.
What are the key properties of 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol?
4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol has a molecular weight of 350.82 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-fluoro-5-(oxan-4-ylmethoxy)phenyl]-5-methylphenol is sourced from PubChem (CID 126677498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).