1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone

C14H16O2 — CID 126484592

IUPAC1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
SMILESC=C(OC)c1ccc(C(C)=O)c2c1CCC2
InChIInChI=1S/C14H16O2/c1-9(15)11-7-8-12(10(2)16-3)14-6-4-5-13(11)14/h7-8H,2,4-6H2,1,3H3
InChIKeyVWNUWOUBILMHJS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.99
Rot. Bonds3

About 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone

1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone (PubChem CID 126484592) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone.

Molecular Properties

Compound Name1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
PubChem CID126484592
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
SMILESC=C(OC)c1ccc(C(C)=O)c2c1CCC2
InChIInChI=1S/C14H16O2/c1-9(15)11-7-8-12(10(2)16-3)14-6-4-5-13(11)14/h7-8H,2,4-6H2,1,3H3
InChIKeyVWNUWOUBILMHJS-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mansonone F
CID 94304
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
CID 57525
2,4,6-Trimethylbenzoic acid methyl ester
CID 519982
Methyl 4-acetylbenzoate
CID 137990
Ethyl 2,4,6-trimethylbenzoate
CID 74465
1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester
CID 84245
Methyl 2-(3-oxobutyl)benzoate
CID 3237420
Methyl 2,3-dimethylbenzoate
CID 27000
Methyl 2,4-dimethylbenzoate
CID 32031
Benzoic acid, 3,4-dimethyl-, ethyl ester
CID 141790
Methyl 3,4-dimethylbenzoate
CID 520902
Methyl 9-oxo-9H-fluorene-1-carboxylate
CID 221185

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone?
The IUPAC name of 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone (CID 126484592) is 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone.
What is the SMILES notation for 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone?
The canonical SMILES for 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone is C=C(OC)c1ccc(C(C)=O)c2c1CCC2.
What is the InChIKey of 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone?
The InChIKey is VWNUWOUBILMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9(15)11-7-8-12(10(2)16-3)14-6-4-5-13(11)14/h7-8H,2,4-6H2,1,3H3.
What are the key properties of 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone?
1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone is sourced from PubChem (CID 126484592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).