[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol

C11H14ClFO2 — CID 89444509

IUPAC[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol
SMILESCC(CF)COc1ccc(Cl)cc1CO
InChIInChI=1S/C11H14ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,8,14H,5-7H2,1H3
InChIKeySFVLPQHPIWQMQQ-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.82
Rot. Bonds5

About [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol

[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol (PubChem CID 89444509) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol
PubChem CID89444509
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol
SMILESCC(CF)COc1ccc(Cl)cc1CO
InChIInChI=1S/C11H14ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,8,14H,5-7H2,1H3
InChIKeySFVLPQHPIWQMQQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol (CID 89444509) is [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol is CC(CF)COc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol?
The InChIKey is SFVLPQHPIWQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-8(5-13)7-15-11-3-2-10(12)4-9(11)6-14/h2-4,8,14H,5-7H2,1H3.
What are the key properties of [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol?
[5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol has a molecular weight of 232.68 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-fluoro-2-methylpropoxy)phenyl]methanol is sourced from PubChem (CID 89444509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).