(2-chloro-4-ethoxy-6-fluorophenyl)methanol

C9H10ClFO2 — CID 22219888

IUPAC(2-chloro-4-ethoxy-6-fluorophenyl)methanol
SMILESCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C9H10ClFO2/c1-2-13-6-3-8(10)7(5-12)9(11)4-6/h3-4,12H,2,5H2,1H3
InChIKeyBUJULLHJYLUKAP-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.37
Rot. Bonds3

About (2-chloro-4-ethoxy-6-fluorophenyl)methanol

(2-chloro-4-ethoxy-6-fluorophenyl)methanol (PubChem CID 22219888) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is (2-chloro-4-ethoxy-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-ethoxy-6-fluorophenyl)methanol
PubChem CID22219888
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name(2-chloro-4-ethoxy-6-fluorophenyl)methanol
SMILESCCOc1cc(F)c(CO)c(Cl)c1
InChIInChI=1S/C9H10ClFO2/c1-2-13-6-3-8(10)7(5-12)9(11)4-6/h3-4,12H,2,5H2,1H3
InChIKeyBUJULLHJYLUKAP-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-ethoxy-6-fluorophenyl)methanol?
The IUPAC name of (2-chloro-4-ethoxy-6-fluorophenyl)methanol (CID 22219888) is (2-chloro-4-ethoxy-6-fluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4-ethoxy-6-fluorophenyl)methanol?
The canonical SMILES for (2-chloro-4-ethoxy-6-fluorophenyl)methanol is CCOc1cc(F)c(CO)c(Cl)c1.
What is the InChIKey of (2-chloro-4-ethoxy-6-fluorophenyl)methanol?
The InChIKey is BUJULLHJYLUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-2-13-6-3-8(10)7(5-12)9(11)4-6/h3-4,12H,2,5H2,1H3.
What are the key properties of (2-chloro-4-ethoxy-6-fluorophenyl)methanol?
(2-chloro-4-ethoxy-6-fluorophenyl)methanol has a molecular weight of 204.63 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-ethoxy-6-fluorophenyl)methanol is sourced from PubChem (CID 22219888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).