3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C17H17FO3 — CID 123218091

IUPAC3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)C(Cc1ccc(F)cc1)CO2
InChIInChI=1S/C17H17FO3/c1-20-14-6-7-16-15(9-14)17(19)12(10-21-16)8-11-2-4-13(18)5-3-11/h2-7,9,12,17,19H,8,10H2,1H3
InChIKeyKXEBUWTXIRSVSM-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol

3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 123218091) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID123218091
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)C(Cc1ccc(F)cc1)CO2
InChIInChI=1S/C17H17FO3/c1-20-14-6-7-16-15(9-14)17(19)12(10-21-16)8-11-2-4-13(18)5-3-11/h2-7,9,12,17,19H,8,10H2,1H3
InChIKeyKXEBUWTXIRSVSM-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 123218091) is 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)C(Cc1ccc(F)cc1)CO2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KXEBUWTXIRSVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-14-6-7-16-15(9-14)17(19)12(10-21-16)8-11-2-4-13(18)5-3-11/h2-7,9,12,17,19H,8,10H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 123218091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).