2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane

C17H18O4 — CID 101113332

IUPAC2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc(C2OC2c2cccc(OC)c2OC)cc1
InChIInChI=1S/C17H18O4/c1-18-12-9-7-11(8-10-12)15-17(21-15)13-5-4-6-14(19-2)16(13)20-3/h4-10,15,17H,1-3H3
InChIKeyAWQIMELEKFJCRX-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.53
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane

2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane (PubChem CID 101113332) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
PubChem CID101113332
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc(C2OC2c2cccc(OC)c2OC)cc1
InChIInChI=1S/C17H18O4/c1-18-12-9-7-11(8-10-12)15-17(21-15)13-5-4-6-14(19-2)16(13)20-3/h4-10,15,17H,1-3H3
InChIKeyAWQIMELEKFJCRX-UHFFFAOYSA-N
XLogP3.53
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093397
3-(2,3-dimethoxyphenyl)oxirane-2-carboxylic acid
CID 4076414
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 11002087
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
3-(2,3-dimethoxyphenyl)-4-phenyloxolane-2,5-dione
CID 5225835
(4S,7R)-4-(2,3-dimethoxyphenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7443651
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
CID 163070862

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane (CID 101113332) is 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane is COc1ccc(C2OC2c2cccc(OC)c2OC)cc1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane?
The InChIKey is AWQIMELEKFJCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-18-12-9-7-11(8-10-12)15-17(21-15)13-5-4-6-14(19-2)16(13)20-3/h4-10,15,17H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane?
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane has a molecular weight of 286.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane is sourced from PubChem (CID 101113332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).