[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol

C17H15FO3 — CID 122501736

IUPAC[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CO)CO2
InChIInChI=1S/C17H15FO3/c1-20-14-6-7-16-15(8-14)17(12(9-19)10-21-16)11-2-4-13(18)5-3-11/h2-8,19H,9-10H2,1H3
InChIKeyZFUDDJLJXFUGAC-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.02
Rot. Bonds3

About [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol

[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol (PubChem CID 122501736) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
PubChem CID122501736
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(CO)CO2
InChIInChI=1S/C17H15FO3/c1-20-14-6-7-16-15(8-14)17(12(9-19)10-21-16)11-2-4-13(18)5-3-11/h2-8,19H,9-10H2,1H3
InChIKeyZFUDDJLJXFUGAC-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]ethanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
CID 157179580
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
CID 139445481
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 122470217
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
N-ethyl-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039595
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 122501739
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
N,N-diethyl-2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethanamine
CID 14521100
4-[6-[[1-[[4-(3-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidin-3-yl]methoxy]-3-(pyrrolidin-1-ylmethyl)-2H-chromen-4-yl]benzonitrile
CID 153338733
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]ethanamine;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]piperidine
CID 162243913
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
N-[[6-(difluoromethyl)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 139445468

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol (CID 122501736) is [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol is COc1ccc2c(c1)C(c1ccc(F)cc1)=C(CO)CO2.
What is the InChIKey of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol?
The InChIKey is ZFUDDJLJXFUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-14-6-7-16-15(8-14)17(12(9-19)10-21-16)11-2-4-13(18)5-3-11/h2-8,19H,9-10H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol?
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol has a molecular weight of 286.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol is sourced from PubChem (CID 122501736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).