4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene

C16H20O2 — CID 123998118

IUPAC4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene
SMILESC=C(C=C1CCCc2ccc(OC)cc21)OCC
InChIInChI=1S/C16H20O2/c1-4-18-12(2)10-14-7-5-6-13-8-9-15(17-3)11-16(13)14/h8-11H,2,4-7H2,1,3H3
InChIKeyBYJKPSFFPXDNKH-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.97
Rot. Bonds4

About 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene

4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene (PubChem CID 123998118) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene
PubChem CID123998118
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene
SMILESC=C(C=C1CCCc2ccc(OC)cc21)OCC
InChIInChI=1S/C16H20O2/c1-4-18-12(2)10-14-7-5-6-13-8-9-15(17-3)11-16(13)14/h8-11H,2,4-7H2,1,3H3
InChIKeyBYJKPSFFPXDNKH-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.97
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

2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethanamine
CID 54094556
ethyl (2Z)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)propanoate
CID 104503384
ethyl 7-methoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 23128314
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
CID 176832104
ethyl 2-(7-methoxy-1H-isochromen-4-ylidene)acetate
CID 57084885
ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
CID 66869542
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 22904998

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene (CID 123998118) is 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene is C=C(C=C1CCCc2ccc(OC)cc21)OCC.
What is the InChIKey of 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene?
The InChIKey is BYJKPSFFPXDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-18-12(2)10-14-7-5-6-13-8-9-15(17-3)11-16(13)14/h8-11H,2,4-7H2,1,3H3.
What are the key properties of 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene?
4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene has a molecular weight of 244.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyprop-2-enylidene)-6-methoxy-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 123998118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).