2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine

C22H22O4 — CID 162974982

IUPAC2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine
SMILESCOc1cc(OC)cc(-c2cc3cc(C)c4c(c3o2)CC=C(C)CO4)c1
InChIInChI=1S/C22H22O4/c1-13-5-6-19-21(25-12-13)14(2)7-16-10-20(26-22(16)19)15-8-17(23-3)11-18(9-15)24-4/h5,7-11H,6,12H2,1-4H3
InChIKeyMQEQHGGPAYLCTD-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.31
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine

2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine (PubChem CID 162974982) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine
PubChem CID162974982
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine
SMILESCOc1cc(OC)cc(-c2cc3cc(C)c4c(c3o2)CC=C(C)CO4)c1
InChIInChI=1S/C22H22O4/c1-13-5-6-19-21(25-12-13)14(2)7-16-10-20(26-22(16)19)15-8-17(23-3)11-18(9-15)24-4/h5,7-11H,6,12H2,1-4H3
InChIKeyMQEQHGGPAYLCTD-UHFFFAOYSA-N
XLogP5.31
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethoxyphenyl)-8-methyl-7,10-dihydrofuro[2,3-g][1]benzoxepin-5-ol
CID 162917914
2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-benzofuran
CID 10358261
CID 71043704
CID 71043704
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355
8-bromo-3-(3,5-dimethoxyphenyl)-6-methylchromen-2-one
CID 46933991
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
[2-(3,5-dimethoxyphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 55051100

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine (CID 162974982) is 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine is COc1cc(OC)cc(-c2cc3cc(C)c4c(c3o2)CC=C(C)CO4)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine?
The InChIKey is MQEQHGGPAYLCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-13-5-6-19-21(25-12-13)14(2)7-16-10-20(26-22(16)19)15-8-17(23-3)11-18(9-15)24-4/h5,7-11H,6,12H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine?
2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine has a molecular weight of 350.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5,8-dimethyl-7,10-dihydrofuro[2,3-g][1]benzoxepine is sourced from PubChem (CID 162974982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).