1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

C18H19FO2 — CID 79973379

IUPAC1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(C3CC3)cc2)cc1F
InChIInChI=1S/C18H19FO2/c1-21-18-9-2-12(10-16(18)19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h2,5-10,13,17,20H,3-4,11H2,1H3
InChIKeyLVCLYHRCUKNTIZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 79973379) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID79973379
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(C3CC3)cc2)cc1F
InChIInChI=1S/C18H19FO2/c1-21-18-9-2-12(10-16(18)19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h2,5-10,13,17,20H,3-4,11H2,1H3
InChIKeyLVCLYHRCUKNTIZ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 79973379) is 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2ccc(C3CC3)cc2)cc1F.
What is the InChIKey of 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is LVCLYHRCUKNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-21-18-9-2-12(10-16(18)19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h2,5-10,13,17,20H,3-4,11H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 286.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 79973379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).