ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C16H22O3 — CID 118900132

IUPACethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(cc1OC)C(C)C(C)CC2
InChIInChI=1S/C16H22O3/c1-5-19-16(17)14-8-12-7-6-10(2)11(3)13(12)9-15(14)18-4/h8-11H,5-7H2,1-4H3
InChIKeySMQPXFQTFNVTTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.56
Rot. Bonds3

About ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 118900132) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID118900132
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(cc1OC)C(C)C(C)CC2
InChIInChI=1S/C16H22O3/c1-5-19-16(17)14-8-12-7-6-10(2)11(3)13(12)9-15(14)18-4/h8-11H,5-7H2,1-4H3
InChIKeySMQPXFQTFNVTTB-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 13406909
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 2-amino-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carboxylate
CID 59687294
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl (1S)-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 122202729
ethyl 2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528258
(1S,2R)-N,N-diethyl-5,6-dimethoxy-1-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125481783
ethyl 2,5-dimethoxy-4-nitrobenzoate
CID 53419339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 118900132) is ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)c1cc2c(cc1OC)C(C)C(C)CC2.
What is the InChIKey of ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is SMQPXFQTFNVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-19-16(17)14-8-12-7-6-10(2)11(3)13(12)9-15(14)18-4/h8-11H,5-7H2,1-4H3.
What are the key properties of ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 118900132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).