2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one

C19H16O3 — CID 162162773

IUPAC2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
SMILESO=C1CCC(=Cc2ccc(O)cc2)C1=Cc1ccc(O)cc1
InChIInChI=1S/C19H16O3/c20-16-6-1-13(2-7-16)11-15-5-10-19(22)18(15)12-14-3-8-17(21)9-4-14/h1-4,6-9,11-12,20-21H,5,10H2
InChIKeyZMSCCCQIMMTCRZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.93
Rot. Bonds2

About 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one

2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one (PubChem CID 162162773) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
PubChem CID162162773
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one
SMILESO=C1CCC(=Cc2ccc(O)cc2)C1=Cc1ccc(O)cc1
InChIInChI=1S/C19H16O3/c20-16-6-1-13(2-7-16)11-15-5-10-19(22)18(15)12-14-3-8-17(21)9-4-14/h1-4,6-9,11-12,20-21H,5,10H2
InChIKeyZMSCCCQIMMTCRZ-UHFFFAOYSA-N
XLogP3.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyphenyl)methylidene]cycloheptane-1,3-dione
CID 71406272
2,3-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one
CID 164714423
2,3-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
CID 59971328
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
CID 177391216
2-benzylidenecyclobutan-1-one
CID 73042587
(2S,6E)-2-tert-butyl-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
CID 9186038
(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
CID 101236564
2-[(4-chlorophenyl)methylidene]cycloheptane-1,3-dione
CID 86059583
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
4-[(E)-[5-[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-4-oxopiperidin-1-ium-3-ylidene]methyl]phenolate;hydroiodide
CID 154734911
(2Z,5Z)-2,5-bis[(4-aminophenyl)methylidene]cyclopentan-1-one
CID 142412170

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one (CID 162162773) is 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one is O=C1CCC(=Cc2ccc(O)cc2)C1=Cc1ccc(O)cc1.
What is the InChIKey of 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one?
The InChIKey is ZMSCCCQIMMTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-16-6-1-13(2-7-16)11-15-5-10-19(22)18(15)12-14-3-8-17(21)9-4-14/h1-4,6-9,11-12,20-21H,5,10H2.
What are the key properties of 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one?
2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one has a molecular weight of 292.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-hydroxyphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 162162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).