2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol

C17H16F2O2 — CID 105405677

IUPAC2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)C1COc2ccccc2C1
InChIInChI=1S/C17H16F2O2/c18-14-5-11(6-15(19)9-14)7-16(20)13-8-12-3-1-2-4-17(12)21-10-13/h1-6,9,13,16,20H,7-8,10H2
InChIKeyDFZYUVRVQADFAQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.12
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol

2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (PubChem CID 105405677) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
PubChem CID105405677
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESOC(Cc1cc(F)cc(F)c1)C1COc2ccccc2C1
InChIInChI=1S/C17H16F2O2/c18-14-5-11(6-15(19)9-14)7-16(20)13-8-12-3-1-2-4-17(12)21-10-13/h1-6,9,13,16,20H,7-8,10H2
InChIKeyDFZYUVRVQADFAQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 65410962
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 107308167
[(3,5-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234024
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752635
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075
5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106947406
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 66417614
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
1-(2,3-dihydro-1H-inden-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 65410774

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (CID 105405677) is 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol is OC(Cc1cc(F)cc(F)c1)C1COc2ccccc2C1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The InChIKey is DFZYUVRVQADFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-14-5-11(6-15(19)9-14)7-16(20)13-8-12-3-1-2-4-17(12)21-10-13/h1-6,9,13,16,20H,7-8,10H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol has a molecular weight of 290.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol is sourced from PubChem (CID 105405677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).