ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate

C15H18O3 — CID 104503384

IUPACethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/CCc2ccc(OC)cc21
InChIInChI=1S/C15H18O3/c1-4-18-15(16)10(2)13-8-6-11-5-7-12(17-3)9-14(11)13/h5,7,9H,4,6,8H2,1-3H3/b13-10-
InChIKeyALHSKQONEVCCPF-RAXLEYEMSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds3

About ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate

ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate (PubChem CID 104503384) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
PubChem CID104503384
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/CCc2ccc(OC)cc21
InChIInChI=1S/C15H18O3/c1-4-18-15(16)10(2)13-8-6-11-5-7-12(17-3)9-14(11)13/h5,7,9H,4,6,8H2,1-3H3/b13-10-
InChIKeyALHSKQONEVCCPF-RAXLEYEMSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
CID 66869542
ethyl 7-methoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 23128314
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
2-(7-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 19048915
4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene
CID 123998118
ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
CID 66741711
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
ethyl 2-[(2R)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-2-oxoacetate
CID 98108126
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
CID 66741339
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate (CID 104503384) is ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate is CCOC(=O)/C(C)=C1/CCc2ccc(OC)cc21.
What is the InChIKey of ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate?
The InChIKey is ALHSKQONEVCCPF-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H18O3/c1-4-18-15(16)10(2)13-8-6-11-5-7-12(17-3)9-14(11)13/h5,7,9H,4,6,8H2,1-3H3/b13-10-.
What are the key properties of ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate?
ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate has a molecular weight of 246.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate is sourced from PubChem (CID 104503384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).