(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione

C18H14O4 — CID 129390946

IUPAC(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione
SMILESCOc1ccc(/C(=C2/CC(=O)OC2=O)c2ccccc2)cc1
InChIInChI=1S/C18H14O4/c1-21-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)15-11-16(19)22-18(15)20/h2-10H,11H2,1H3/b17-15-
InChIKeyPHQVXXIQNMFAIT-ICFOKQHNSA-N
MW294.31 g/mol
LogP2.97
Rot. Bonds3

About (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione

(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione (PubChem CID 129390946) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione
PubChem CID129390946
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione
SMILESCOc1ccc(/C(=C2/CC(=O)OC2=O)c2ccccc2)cc1
InChIInChI=1S/C18H14O4/c1-21-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)15-11-16(19)22-18(15)20/h2-10H,11H2,1H3/b17-15-
InChIKeyPHQVXXIQNMFAIT-ICFOKQHNSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 10611515
CID 10611515
1-[(4-methoxyphenyl)-phenylmethylidene]cyclopropa[b]naphthalene
CID 11461778
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
anisole;methyl 4-methoxybenzoate
CID 158093995
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione?
The IUPAC name of (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione (CID 129390946) is (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione.
What is the SMILES notation for (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione?
The canonical SMILES for (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione is COc1ccc(/C(=C2/CC(=O)OC2=O)c2ccccc2)cc1.
What is the InChIKey of (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione?
The InChIKey is PHQVXXIQNMFAIT-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H14O4/c1-21-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)15-11-16(19)22-18(15)20/h2-10H,11H2,1H3/b17-15-.
What are the key properties of (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione?
(3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methoxyphenyl)-phenylmethylidene]oxolane-2,5-dione is sourced from PubChem (CID 129390946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).