(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone

C22H24O — CID 102171866

IUPAC(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCC12CCCC2
InChIInChI=1S/C22H24O/c23-21(20-9-6-16-22(20)14-4-5-15-22)19-12-10-18(11-13-19)17-7-2-1-3-8-17/h1-3,7-8,10-13,20H,4-6,9,14-16H2
InChIKeyHUTRVXOUPVJIJM-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.90
Rot. Bonds3

About (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone

(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone (PubChem CID 102171866) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone.

Molecular Properties

Compound Name(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone
PubChem CID102171866
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCC12CCCC2
InChIInChI=1S/C22H24O/c23-21(20-9-6-16-22(20)14-4-5-15-22)19-12-10-18(11-13-19)17-7-2-1-3-8-17/h1-3,7-8,10-13,20H,4-6,9,14-16H2
InChIKeyHUTRVXOUPVJIJM-UHFFFAOYSA-N
XLogP5.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone?
The IUPAC name of (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone (CID 102171866) is (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone.
What is the SMILES notation for (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone?
The canonical SMILES for (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone is O=C(c1ccc(-c2ccccc2)cc1)C1CCCC12CCCC2.
What is the InChIKey of (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone?
The InChIKey is HUTRVXOUPVJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c23-21(20-9-6-16-22(20)14-4-5-15-22)19-12-10-18(11-13-19)17-7-2-1-3-8-17/h1-3,7-8,10-13,20H,4-6,9,14-16H2.
What are the key properties of (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone?
(4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone has a molecular weight of 304.43 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-spiro[4.4]nonan-4-ylmethanone is sourced from PubChem (CID 102171866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).