2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one

C19H18O3 — CID 102233598

IUPAC2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1ccccc1C1=C(c2ccccc2OC)C(=O)CC1
InChIInChI=1S/C19H18O3/c1-21-17-9-5-3-7-13(17)14-11-12-16(20)19(14)15-8-4-6-10-18(15)22-2/h3-10H,11-12H2,1-2H3
InChIKeyCICOPFDVRDDZCL-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.98
Rot. Bonds4

About 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one

2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one (PubChem CID 102233598) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
PubChem CID102233598
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1ccccc1C1=C(c2ccccc2OC)C(=O)CC1
InChIInChI=1S/C19H18O3/c1-21-17-9-5-3-7-13(17)14-11-12-16(20)19(14)15-8-4-6-10-18(15)22-2/h3-10H,11-12H2,1-2H3
InChIKeyCICOPFDVRDDZCL-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 169225392
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CID 144506457
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
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5-(2-methoxyphenyl)furan-3-one
CID 12924090
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CID 141002477
3-chloro-4-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110583845
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110583869
4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
CID 15686138
9-methoxy-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886840
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
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2-(2-methoxyphenyl)naphthalene-1,4-dione
CID 71329809
3-(2-methoxyphenyl)-1-benzothiophene
CID 3358919

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one (CID 102233598) is 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one is COc1ccccc1C1=C(c2ccccc2OC)C(=O)CC1.
What is the InChIKey of 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is CICOPFDVRDDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-17-9-5-3-7-13(17)14-11-12-16(20)19(14)15-8-4-6-10-18(15)22-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one?
2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 102233598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).