3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile

C16H13NO — CID 500476

IUPAC3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(c1ccccc1)CO2
InChIInChI=1S/C16H13NO/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h1-8,15H,9,11H2
InChIKeyASPSPMUTJMKLJC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.28
Rot. Bonds1

About 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile

3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile (PubChem CID 500476) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile.

Molecular Properties

Compound Name3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile
PubChem CID500476
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(c1ccccc1)CO2
InChIInChI=1S/C16H13NO/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h1-8,15H,9,11H2
InChIKeyASPSPMUTJMKLJC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69367669
(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69367504
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 102491716
7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 15628202
3-phenyl-6-[(3-phenyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]-2,4-dihydro-1,3-benzoxazine
CID 147789935
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
CID 104663697
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
3-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837632
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
7,8-diphenyldibenzo-p-dioxin-2-carbonitrile
CID 101091915

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The IUPAC name of 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile (CID 500476) is 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile.
What is the SMILES notation for 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The canonical SMILES for 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile is N#Cc1ccc2c(c1)CC(c1ccccc1)CO2.
What is the InChIKey of 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile?
The InChIKey is ASPSPMUTJMKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h1-8,15H,9,11H2.
What are the key properties of 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile?
3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile is sourced from PubChem (CID 500476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).