(1-benzoylcyclooctyl)-phenylmethanone

C22H24O2 — CID 175521310

IUPAC(1-benzoylcyclooctyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(C(=O)c2ccccc2)CCCCCCC1
InChIInChI=1S/C22H24O2/c23-20(18-12-6-4-7-13-18)22(16-10-2-1-3-11-17-22)21(24)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2
InChIKeyOUKTVHFFSZXCCG-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.48
Rot. Bonds4

About (1-benzoylcyclooctyl)-phenylmethanone

(1-benzoylcyclooctyl)-phenylmethanone (PubChem CID 175521310) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (1-benzoylcyclooctyl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzoylcyclooctyl)-phenylmethanone
PubChem CID175521310
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(1-benzoylcyclooctyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(C(=O)c2ccccc2)CCCCCCC1
InChIInChI=1S/C22H24O2/c23-20(18-12-6-4-7-13-18)22(16-10-2-1-3-11-17-22)21(24)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2
InChIKeyOUKTVHFFSZXCCG-UHFFFAOYSA-N
XLogP5.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

phenyl-(1-sulfanylcyclohexyl)methanone
CID 151401911
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid
CID 105494111
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
1-(4-phenylbenzoyl)cyclopropane-1-carboxylic acid
CID 116920972
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
CID 155168101
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
[1-(2-azidobenzoyl)cyclopropyl]-phenylmethanone
CID 166437402
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(E)-1-(1-benzoylcyclopropyl)-3-(dimethylamino)prop-2-en-1-one
CID 102597166

Frequently Asked Questions

What is the IUPAC name of (1-benzoylcyclooctyl)-phenylmethanone?
The IUPAC name of (1-benzoylcyclooctyl)-phenylmethanone (CID 175521310) is (1-benzoylcyclooctyl)-phenylmethanone.
What is the SMILES notation for (1-benzoylcyclooctyl)-phenylmethanone?
The canonical SMILES for (1-benzoylcyclooctyl)-phenylmethanone is O=C(c1ccccc1)C1(C(=O)c2ccccc2)CCCCCCC1.
What is the InChIKey of (1-benzoylcyclooctyl)-phenylmethanone?
The InChIKey is OUKTVHFFSZXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-20(18-12-6-4-7-13-18)22(16-10-2-1-3-11-17-22)21(24)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2.
What are the key properties of (1-benzoylcyclooctyl)-phenylmethanone?
(1-benzoylcyclooctyl)-phenylmethanone has a molecular weight of 320.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylcyclooctyl)-phenylmethanone is sourced from PubChem (CID 175521310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).