CID 11796371

C22H19O — CID 11796371

IUPAC—
SMILESCc1ccc(C2C(C(=O)[C]3[CH][CH][CH][CH]3)C2c2ccccc2)cc1
InChIInChI=1S/C22H19O/c1-15-11-13-17(14-12-15)20-19(16-7-3-2-4-8-16)21(20)22(23)18-9-5-6-10-18/h2-14,19-21H,1H3
InChIKeyBGUHFSJPGMMDRL-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.47
Rot. Bonds4

About CID 11796371

CID 11796371 (PubChem CID 11796371) has the molecular formula C22H19O and a molecular weight of 299.39 g/mol.

Molecular Properties

Compound NameCID 11796371
PubChem CID11796371
Molecular FormulaC22H19O
Molecular Weight299.39 g/mol
Exact Mass299.14
IUPAC Name—
SMILESCc1ccc(C2C(C(=O)[C]3[CH][CH][CH][CH]3)C2c2ccccc2)cc1
InChIInChI=1S/C22H19O/c1-15-11-13-17(14-12-15)20-19(16-7-3-2-4-8-16)21(20)22(23)18-9-5-6-10-18/h2-14,19-21H,1H3
InChIKeyBGUHFSJPGMMDRL-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
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4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
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(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol
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methyl 2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
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methyl (2S,3R,4S,5R)-4-benzoyl-5-(4-methylphenyl)-3-phenylpyrrolidine-2-carboxylate
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2-(4-methylphenyl)-3-phenyloxirane
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[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
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2-methyl-3-phenylcyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of CID 11796371?
The IUPAC name of CID 11796371 (CID 11796371) is not available.
What is the SMILES notation for CID 11796371?
The canonical SMILES for CID 11796371 is Cc1ccc(C2C(C(=O)[C]3[CH][CH][CH][CH]3)C2c2ccccc2)cc1.
What is the InChIKey of CID 11796371?
The InChIKey is BGUHFSJPGMMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19O/c1-15-11-13-17(14-12-15)20-19(16-7-3-2-4-8-16)21(20)22(23)18-9-5-6-10-18/h2-14,19-21H,1H3.
What are the key properties of CID 11796371?
CID 11796371 has a molecular weight of 299.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11796371 is sourced from PubChem (CID 11796371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).