2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol

C9H10ClFO2 — CID 117293030

IUPAC2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
SMILESCc1cc(C(C)O)c(F)c(O)c1Cl
InChIInChI=1S/C9H10ClFO2/c1-4-3-6(5(2)12)8(11)9(13)7(4)10/h3,5,12-13H,1-2H3
InChIKeyQHHSKKVGUVTCSQ-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.55
Rot. Bonds1

About 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol

2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol (PubChem CID 117293030) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
PubChem CID117293030
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
SMILESCc1cc(C(C)O)c(F)c(O)c1Cl
InChIInChI=1S/C9H10ClFO2/c1-4-3-6(5(2)12)8(11)9(13)7(4)10/h3,5,12-13H,1-2H3
InChIKeyQHHSKKVGUVTCSQ-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-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

6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
CID 117276803
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol?
The IUPAC name of 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol (CID 117293030) is 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol.
What is the SMILES notation for 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol?
The canonical SMILES for 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol is Cc1cc(C(C)O)c(F)c(O)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol?
The InChIKey is QHHSKKVGUVTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-4-3-6(5(2)12)8(11)9(13)7(4)10/h3,5,12-13H,1-2H3.
What are the key properties of 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol?
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol has a molecular weight of 204.63 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol is sourced from PubChem (CID 117293030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).