CID 58750532

C23H21O2 — CID 58750532

IUPAC—
SMILESCC[C](OC(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21O2/c1-3-22(20-7-5-4-6-8-20)25-23(24)21-15-13-19(14-16-21)18-11-9-17(2)10-12-18/h4-16H,3H2,1-2H3
InChIKeyRNKBYGMEUWFRRM-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.81
Rot. Bonds5

About CID 58750532

CID 58750532 (PubChem CID 58750532) has the molecular formula C23H21O2 and a molecular weight of 329.42 g/mol.

Molecular Properties

Compound NameCID 58750532
PubChem CID58750532
Molecular FormulaC23H21O2
Molecular Weight329.42 g/mol
Exact Mass329.15
IUPAC Name—
SMILESCC[C](OC(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H21O2/c1-3-22(20-7-5-4-6-8-20)25-23(24)21-15-13-19(14-16-21)18-11-9-17(2)10-12-18/h4-16H,3H2,1-2H3
InChIKeyRNKBYGMEUWFRRM-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-2-benzoyloxy-1,2-bis(4-methylphenyl)ethenyl] benzoate
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ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
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1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
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ethyl benzoate;toluene
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ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
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ethyl 4-azulen-2-ylbenzoate
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benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of CID 58750532?
The IUPAC name of CID 58750532 (CID 58750532) is not available.
What is the SMILES notation for CID 58750532?
The canonical SMILES for CID 58750532 is CC[C](OC(=O)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1.
What is the InChIKey of CID 58750532?
The InChIKey is RNKBYGMEUWFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O2/c1-3-22(20-7-5-4-6-8-20)25-23(24)21-15-13-19(14-16-21)18-11-9-17(2)10-12-18/h4-16H,3H2,1-2H3.
What are the key properties of CID 58750532?
CID 58750532 has a molecular weight of 329.42 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58750532 is sourced from PubChem (CID 58750532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).