(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one

C19H16O2 — CID 6391020

IUPAC(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one
SMILESO=C1C(OCc2ccccc2)=CC/C1=C/c1ccccc1
InChIInChI=1S/C19H16O2/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)21-14-16-9-5-2-6-10-16/h1-10,12-13H,11,14H2/b17-13-
InChIKeySDNLBHFDMVVQTH-LGMDPLHJSA-N
MW276.34 g/mol
LogP4.14
Rot. Bonds4

About (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one

(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one (PubChem CID 6391020) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one
PubChem CID6391020
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one
SMILESO=C1C(OCc2ccccc2)=CC/C1=C/c1ccccc1
InChIInChI=1S/C19H16O2/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)21-14-16-9-5-2-6-10-16/h1-10,12-13H,11,14H2/b17-13-
InChIKeySDNLBHFDMVVQTH-LGMDPLHJSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 156728965
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127
[4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
CID 136654250
3-phenylmethoxy-1H-azet-2-one
CID 174589199
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
3,5-dibenzylidene-1-(2-phenylethyl)piperidin-4-one
CID 54220002
(2E)-2-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3H-inden-1-one
CID 126377452
2,3-bis(phenylmethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 123279027
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one
CID 139180450
2-benzylidenecyclobutan-1-one
CID 73042587

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one (CID 6391020) is (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one is O=C1C(OCc2ccccc2)=CC/C1=C/c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one?
The InChIKey is SDNLBHFDMVVQTH-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H16O2/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)21-14-16-9-5-2-6-10-16/h1-10,12-13H,11,14H2/b17-13-.
What are the key properties of (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one?
(5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-phenylmethoxycyclopent-2-en-1-one is sourced from PubChem (CID 6391020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).