(2-chloro-6-fluoro-4-propoxyphenyl)methanol

C10H12ClFO2 — CID 22220034

IUPAC(2-chloro-6-fluoro-4-propoxyphenyl)methanol
SMILESCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H12ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3
InChIKeyDIAUIGBVWLEAIZ-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.76
Rot. Bonds4

About (2-chloro-6-fluoro-4-propoxyphenyl)methanol

(2-chloro-6-fluoro-4-propoxyphenyl)methanol (PubChem CID 22220034) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is (2-chloro-6-fluoro-4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluoro-4-propoxyphenyl)methanol
PubChem CID22220034
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name(2-chloro-6-fluoro-4-propoxyphenyl)methanol
SMILESCCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C10H12ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3
InChIKeyDIAUIGBVWLEAIZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-4-propoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-fluoro-4-propoxyphenyl)methanol (CID 22220034) is (2-chloro-6-fluoro-4-propoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-fluoro-4-propoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-fluoro-4-propoxyphenyl)methanol is CCCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of (2-chloro-6-fluoro-4-propoxyphenyl)methanol?
The InChIKey is DIAUIGBVWLEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-2-3-14-7-4-9(11)8(6-13)10(12)5-7/h4-5,13H,2-3,6H2,1H3.
What are the key properties of (2-chloro-6-fluoro-4-propoxyphenyl)methanol?
(2-chloro-6-fluoro-4-propoxyphenyl)methanol has a molecular weight of 218.65 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluoro-4-propoxyphenyl)methanol is sourced from PubChem (CID 22220034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).