(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione

C18H12Cl2O4 — CID 11703278

IUPAC(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione
SMILESO=C1O/C(=C\OCc2ccccc2)C(=O)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2O4/c19-13-6-12(7-14(20)8-13)16-17(21)15(24-18(16)22)10-23-9-11-4-2-1-3-5-11/h1-8,10,16H,9H2/b15-10-
InChIKeyAPAPVZZCACHVDU-GDNBJRDFSA-N
MW363.20 g/mol
LogP4.26
Rot. Bonds4

About (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione

(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione (PubChem CID 11703278) has the molecular formula C18H12Cl2O4 and a molecular weight of 363.20 g/mol. Its IUPAC name is (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione
PubChem CID11703278
Molecular FormulaC18H12Cl2O4
Molecular Weight363.20 g/mol
Exact Mass362.01
IUPAC Name(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione
SMILESO=C1O/C(=C\OCc2ccccc2)C(=O)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2O4/c19-13-6-12(7-14(20)8-13)16-17(21)15(24-18(16)22)10-23-9-11-4-2-1-3-5-11/h1-8,10,16H,9H2/b15-10-
InChIKeyAPAPVZZCACHVDU-GDNBJRDFSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5E)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethylidene)oxolan-2-one
CID 163586459
phenylmethoxymethylidenephosphane
CID 142882655
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
N-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylmethoxyformamide
CID 88752845
1-[(2S,3R,5E)-2-methyl-5-(phenylmethoxymethylidene)oxolan-3-yl]ethanone
CID 5470309
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
CID 11772503
ethenoxymethylbenzene
CID 11116115
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
CID 58681732
CID 58681732

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione?
The IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione (CID 11703278) is (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione.
What is the SMILES notation for (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione?
The canonical SMILES for (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione is O=C1O/C(=C\OCc2ccccc2)C(=O)C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione?
The InChIKey is APAPVZZCACHVDU-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H12Cl2O4/c19-13-6-12(7-14(20)8-13)16-17(21)15(24-18(16)22)10-23-9-11-4-2-1-3-5-11/h1-8,10,16H,9H2/b15-10-.
What are the key properties of (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione?
(5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione has a molecular weight of 363.20 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3,5-dichlorophenyl)-5-(phenylmethoxymethylidene)oxolane-2,4-dione is sourced from PubChem (CID 11703278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).