1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol

C17H16F2O2 — CID 115838357

IUPAC1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H16F2O2/c18-15-3-1-2-12(17(15)19)10-16(20)11-4-6-13(7-5-11)21-14-8-9-14/h1-7,14,16,20H,8-10H2
InChIKeySDFIQJDITLEMBO-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol

1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol (PubChem CID 115838357) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol
PubChem CID115838357
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H16F2O2/c18-15-3-1-2-12(17(15)19)10-16(20)11-4-6-13(7-5-11)21-14-8-9-14/h1-7,14,16,20H,8-10H2
InChIKeySDFIQJDITLEMBO-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-(2-fluorophenyl)ethanol
CID 114521305
4-[2-(2,3-difluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481026
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502950

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol (CID 115838357) is 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol is OC(Cc1cccc(F)c1F)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol?
The InChIKey is SDFIQJDITLEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-15-3-1-2-12(17(15)19)10-16(20)11-4-6-13(7-5-11)21-14-8-9-14/h1-7,14,16,20H,8-10H2.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol?
1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol has a molecular weight of 290.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 115838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).