6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C15H20O4 — CID 82027305

IUPAC6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCCOc1cc2c(cc1OCC)C(C(=O)O)CCC2
InChIInChI=1S/C15H20O4/c1-3-18-13-8-10-6-5-7-11(15(16)17)12(10)9-14(13)19-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyRBVWLAOLDNWGET-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.99
Rot. Bonds5

About 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 82027305) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID82027305
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCCOc1cc2c(cc1OCC)C(C(=O)O)CCC2
InChIInChI=1S/C15H20O4/c1-3-18-13-8-10-6-5-7-11(15(16)17)12(10)9-14(13)19-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyRBVWLAOLDNWGET-UHFFFAOYSA-N
XLogP2.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109039
6,7-dichloro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027298
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410298
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526
5-oxo-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 19841246
methyl 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 46274582
7-ethoxy-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 139399567
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946784
2-chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 3801092
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 82027305) is 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is CCOc1cc2c(cc1OCC)C(C(=O)O)CCC2.
What is the InChIKey of 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is RBVWLAOLDNWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-13-8-10-6-5-7-11(15(16)17)12(10)9-14(13)19-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 82027305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).