5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid

C16H20O3 — CID 115057152

IUPAC5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C21CCCC1
InChIInChI=1S/C16H20O3/c1-19-14-6-4-5-12-11(14)7-8-13(15(17)18)16(12)9-2-3-10-16/h4-6,13H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyYIWUWVUHTSNUOK-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.15
Rot. Bonds2

About 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid

5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (PubChem CID 115057152) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
PubChem CID115057152
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
SMILESCOc1cccc2c1CCC(C(=O)O)C21CCCC1
InChIInChI=1S/C16H20O3/c1-19-14-6-4-5-12-11(14)7-8-13(15(17)18)16(12)9-2-3-10-16/h4-6,13H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyYIWUWVUHTSNUOK-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 118314467

Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The IUPAC name of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid (CID 115057152) is 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid.
What is the SMILES notation for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The canonical SMILES for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is COc1cccc2c1CCC(C(=O)O)C21CCCC1.
What is the InChIKey of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
The InChIKey is YIWUWVUHTSNUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-14-6-4-5-12-11(14)7-8-13(15(17)18)16(12)9-2-3-10-16/h4-6,13H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid?
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid is sourced from PubChem (CID 115057152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).