(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane

C20H16O — CID 132510232

IUPAC(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane
SMILESC1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccccc1
InChIInChI=1S/C20H16O/c1-2-6-15(7-3-1)12-17-13-21-14-20(17)19-11-10-16-8-4-5-9-18(16)19/h1-12H,13-14H2/b17-12+,20-19+
InChIKeyOCMPHSCWFVXRQP-KFBYJWCXSA-N
MW272.35 g/mol
LogP4.58
Rot. Bonds1

About (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane

(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane (PubChem CID 132510232) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane.

Molecular Properties

Compound Name(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane
PubChem CID132510232
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane
SMILESC1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccccc1
InChIInChI=1S/C20H16O/c1-2-6-15(7-3-1)12-17-13-21-14-20(17)19-11-10-16-8-4-5-9-18(16)19/h1-12H,13-14H2/b17-12+,20-19+
InChIKeyOCMPHSCWFVXRQP-KFBYJWCXSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane
CID 138962215
(4Z)-4-benzylidene-5-methyl-5-phenyl-1H-indeno[1,2-c]pyran
CID 132555120
[(E)-[(2E)-2-[(2E)-2-benzylidenecyclopentylidene]cyclopentylidene]methyl]benzene
CID 102353604
3-benzylidene-1-benzofuran
CID 72960863
(4Z)-4-[(4-fluorophenyl)methylidene]-5,5-dimethyl-1H-indeno[1,2-c]pyran
CID 132555118
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
3-benzylidene-1,2-benzodiazepine
CID 150602343
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
CID 5381750
1-benzylidene-2H-s-indacene
CID 175829334
(3E)-3-benzylidene-8-chlorochromen-4-one
CID 16637322
(4Z)-2-benzyl-4-benzylidene-3H-1λ6,2-benzothiazine 1,1-dioxide
CID 132527658

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane?
The IUPAC name of (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane (CID 132510232) is (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane.
What is the SMILES notation for (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane?
The canonical SMILES for (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane is C1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccccc1.
What is the InChIKey of (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane?
The InChIKey is OCMPHSCWFVXRQP-KFBYJWCXSA-N. The full InChI is InChI=1S/C20H16O/c1-2-6-15(7-3-1)12-17-13-21-14-20(17)19-11-10-16-8-4-5-9-18(16)19/h1-12H,13-14H2/b17-12+,20-19+.
What are the key properties of (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane?
(3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane has a molecular weight of 272.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-benzylidene-4-inden-1-ylideneoxolane is sourced from PubChem (CID 132510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).