2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H15FO2 — CID 114715039

IUPAC2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3ccccc3O2)cc1F
InChIInChI=1S/C16H15FO2/c1-10-6-7-11(8-13(10)17)16-9-14(18)12-4-2-3-5-15(12)19-16/h2-8,14,16,18H,9H2,1H3
InChIKeyDGDVRBLPIZZKOA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715039) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715039
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(C2CC(O)c3ccccc3O2)cc1F
InChIInChI=1S/C16H15FO2/c1-10-6-7-11(8-13(10)17)16-9-14(18)12-4-2-3-5-15(12)19-16/h2-8,14,16,18H,9H2,1H3
InChIKeyDGDVRBLPIZZKOA-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104950149
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715039) is 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(C2CC(O)c3ccccc3O2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DGDVRBLPIZZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-6-7-11(8-13(10)17)16-9-14(18)12-4-2-3-5-15(12)19-16/h2-8,14,16,18H,9H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 258.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).