2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate

C14H16O3 — CID 174994017

IUPAC2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
SMILESCOc1ccc2c(c1)CCC2=CCOC(C)=O
InChIInChI=1S/C14H16O3/c1-10(15)17-8-7-11-3-4-12-9-13(16-2)5-6-14(11)12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyMQNPYINLKCQHIC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.59
Rot. Bonds3

About 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate

2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate (PubChem CID 174994017) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
PubChem CID174994017
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
SMILESCOc1ccc2c(c1)CCC2=CCOC(C)=O
InChIInChI=1S/C14H16O3/c1-10(15)17-8-7-11-3-4-12-9-13(16-2)5-6-14(11)12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyMQNPYINLKCQHIC-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
CID 91068807
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
CID 176832118
[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
CID 12972206
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6066357
2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-propan-2-ylcyclopentane-1,3-dione
CID 165340548
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate
CID 66829173
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate?
The IUPAC name of 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate (CID 174994017) is 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate?
The canonical SMILES for 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate is COc1ccc2c(c1)CCC2=CCOC(C)=O.
What is the InChIKey of 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate?
The InChIKey is MQNPYINLKCQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10(15)17-8-7-11-3-4-12-9-13(16-2)5-6-14(11)12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate?
2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate has a molecular weight of 232.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate is sourced from PubChem (CID 174994017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).