7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile

C19H17NO — CID 172635841

IUPAC7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile
SMILESN#CC1CC2(COC2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO/c20-11-17-10-19(12-21-13-19)18(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10,12-13H2
InChIKeyYFMVYDIVHYGIOT-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.00
Rot. Bonds2

About 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile

7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile (PubChem CID 172635841) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile.

Molecular Properties

Compound Name7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile
PubChem CID172635841
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile
SMILESN#CC1CC2(COC2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO/c20-11-17-10-19(12-21-13-19)18(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10,12-13H2
InChIKeyYFMVYDIVHYGIOT-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyltetrahydro-2H-pyran-4-carbonitrile
CID 222960
4-[4-(Methoxymethyl)cyclohexyl]benzonitrile
CID 597702
2-[2-Ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]acetonitrile
CID 2893948
2-[4-(4-Methylphenyl)-2-propan-2-yloxan-4-yl]acetonitrile
CID 2965328
4-(Tetrahydro-2H-pyran-4-yl)benzonitrile
CID 66632976
5-(Naphthalen-2-yl)-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 172635839
4-[4-(Propoxymethyl)cyclohexyl]benzonitrile
CID 18702623
2-Fluoro-4-[4-(3-methoxypropyl)cyclohexyl]benzonitrile
CID 18702630
4-[4-(Ethoxymethyl)cyclohexyl]benzonitrile
CID 18702632
4-[4-(3-Methoxypropyl)cyclohexyl]benzonitrile
CID 58840286
4-[4-[4-(Trifluoromethoxy)butyl]cyclohexyl]benzonitrile
CID 139813403
4'-(beta-Methyloxyethyl)-4-cyanobiphenyl
CID 20470558

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile?
The IUPAC name of 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile (CID 172635841) is 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile.
What is the SMILES notation for 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile?
The canonical SMILES for 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile is N#CC1CC2(COC2)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile?
The InChIKey is YFMVYDIVHYGIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c20-11-17-10-19(12-21-13-19)18(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-18H,10,12-13H2.
What are the key properties of 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile?
7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile has a molecular weight of 275.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile is sourced from PubChem (CID 172635841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).