(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol

C16H14F2O3 — CID 104949764

IUPAC(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccccc2OC(F)F)Oc2ccccc21
InChIInChI=1S/C16H14F2O3/c17-16(18)21-14-8-4-2-6-11(14)15-9-12(19)10-5-1-3-7-13(10)20-15/h1-8,12,15-16,19H,9H2/t12-,15?/m0/s1
InChIKeyPYQQRBDRVHYDTF-SFVWDYPZSA-N
MW292.28 g/mol
LogP3.85
Rot. Bonds3

About (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol

(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949764) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949764
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccccc2OC(F)F)Oc2ccccc21
InChIInChI=1S/C16H14F2O3/c17-16(18)21-14-8-4-2-6-11(14)15-9-12(19)10-5-1-3-7-13(10)20-15/h1-8,12,15-16,19H,9H2/t12-,15?/m0/s1
InChIKeyPYQQRBDRVHYDTF-SFVWDYPZSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol (CID 104949764) is (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ccccc2OC(F)F)Oc2ccccc21.
What is the InChIKey of (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PYQQRBDRVHYDTF-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H14F2O3/c17-16(18)21-14-8-4-2-6-11(14)15-9-12(19)10-5-1-3-7-13(10)20-15/h1-8,12,15-16,19H,9H2/t12-,15?/m0/s1.
What are the key properties of (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 292.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).