2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol

C17H16ClFO2 — CID 65409768

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2
InChIKeyGTRNHNQFVFXAKN-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 65409768) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID65409768
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2
InChIKeyGTRNHNQFVFXAKN-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 65409768) is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is OC(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is GTRNHNQFVFXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 306.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 65409768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).