[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol

C17H19FO2 — CID 145121911

IUPAC[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1cc(-c2ccc(C)cc2F)ccc1CO
InChIInChI=1S/C17H19FO2/c1-12-3-6-16(17(18)9-12)14-4-5-15(11-19)13(10-14)7-8-20-2/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyFDSPRIREFLUCIH-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.48
Rot. Bonds5

About [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol

[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol (PubChem CID 145121911) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol
PubChem CID145121911
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol
SMILESCOCCc1cc(-c2ccc(C)cc2F)ccc1CO
InChIInChI=1S/C17H19FO2/c1-12-3-6-16(17(18)9-12)14-4-5-15(11-19)13(10-14)7-8-20-2/h3-6,9-10,19H,7-8,11H2,1-2H3
InChIKeyFDSPRIREFLUCIH-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol?
The IUPAC name of [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol (CID 145121911) is [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol.
What is the SMILES notation for [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol?
The canonical SMILES for [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol is COCCc1cc(-c2ccc(C)cc2F)ccc1CO.
What is the InChIKey of [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol?
The InChIKey is FDSPRIREFLUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-12-3-6-16(17(18)9-12)14-4-5-15(11-19)13(10-14)7-8-20-2/h3-6,9-10,19H,7-8,11H2,1-2H3.
What are the key properties of [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol?
[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol has a molecular weight of 274.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol is sourced from PubChem (CID 145121911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).