ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one

C19H24O3 — CID 91371592

IUPACethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
SMILESCC.CC.COc1ccccc1C1C(=O)Oc2ccccc21
InChIInChI=1S/C15H12O3.2C2H6/c1-17-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)18-15(14)16;2*1-2/h2-9,14H,1H3;2*1-2H3
InChIKeyXUYJMDAODWDJNQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.80
Rot. Bonds2

About ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one

ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one (PubChem CID 91371592) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one.

Molecular Properties

Compound Nameethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
PubChem CID91371592
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
SMILESCC.CC.COc1ccccc1C1C(=O)Oc2ccccc21
InChIInChI=1S/C15H12O3.2C2H6/c1-17-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)18-15(14)16;2*1-2/h2-9,14H,1H3;2*1-2H3
InChIKeyXUYJMDAODWDJNQ-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
3-(2-methoxy-5-methylphenyl)-5-methyl-3H-1-benzofuran-2-one
CID 20648313
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
3,4-diamino-3,4-dihydrochromen-2-one
CID 86031829
ethane;3-ethyl-3H-1-benzofuran-2-one
CID 91217558
3-(2-nonylphenyl)-3H-1-benzofuran-2-one
CID 54113873
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
3-(methoxymethyl)-3H-1-benzofuran-2-one
CID 139512716
3-tert-butyl-4-(2-methoxyphenyl)oxolane-2,5-dione
CID 102002061
3,4-ditert-butyl-3,4-dihydrochromen-2-one
CID 131978924
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one?
The IUPAC name of ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one (CID 91371592) is ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one.
What is the SMILES notation for ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one?
The canonical SMILES for ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one is CC.CC.COc1ccccc1C1C(=O)Oc2ccccc21.
What is the InChIKey of ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one?
The InChIKey is XUYJMDAODWDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.2C2H6/c1-17-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)18-15(14)16;2*1-2/h2-9,14H,1H3;2*1-2H3.
What are the key properties of ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one?
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one has a molecular weight of 300.40 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 91371592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).