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

C18H19FO2 — CID 104769984

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C18H19FO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3
InChIKeyJIPGJQNETFLOLQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.12
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 104769984) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID104769984
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C18H19FO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3
InChIKeyJIPGJQNETFLOLQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554040
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 104769984) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1C(O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is JIPGJQNETFLOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12-6-7-14(19)11-16(12)17(20)10-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,11,13,17,20H,8-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 286.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 104769984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).