(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile

C16H13NO — CID 62707492

IUPAC(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#C[C@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H13NO/c17-11-13-10-16(12-6-2-1-3-7-12)18-15-9-5-4-8-14(13)15/h1-9,13,16H,10H2/t13-,16-/m1/s1
InChIKeySPHUZTITNWPTOA-CZUORRHYSA-N
MW235.29 g/mol
LogP3.82
Rot. Bonds1

About (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile

(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile (PubChem CID 62707492) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile.

Molecular Properties

Compound Name(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
PubChem CID62707492
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#C[C@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H13NO/c17-11-13-10-16(12-6-2-1-3-7-12)18-15-9-5-4-8-14(13)15/h1-9,13,16H,10H2/t13-,16-/m1/s1
InChIKeySPHUZTITNWPTOA-CZUORRHYSA-N
XLogP3.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
CID 51669858
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
CID 164681206
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
CID 71407648
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
CID 155930767
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile?
The IUPAC name of (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile (CID 62707492) is (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile.
What is the SMILES notation for (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile?
The canonical SMILES for (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile is N#C[C@H]1C[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile?
The InChIKey is SPHUZTITNWPTOA-CZUORRHYSA-N. The full InChI is InChI=1S/C16H13NO/c17-11-13-10-16(12-6-2-1-3-7-12)18-15-9-5-4-8-14(13)15/h1-9,13,16H,10H2/t13-,16-/m1/s1.
What are the key properties of (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile?
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile is sourced from PubChem (CID 62707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).