1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid

C16H20O3 — CID 117405081

IUPAC1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CCCC2)ccc2c1CCC2
InChIInChI=1S/C16H20O3/c1-19-14-12-6-4-5-11(12)7-8-13(14)16(15(17)18)9-2-3-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyKXORBWOSIHZNLT-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid

1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 117405081) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
PubChem CID117405081
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
SMILESCOc1c(C2(C(=O)O)CCCC2)ccc2c1CCC2
InChIInChI=1S/C16H20O3/c1-19-14-12-6-4-5-11(12)7-8-13(14)16(15(17)18)9-2-3-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyKXORBWOSIHZNLT-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
CID 117438562
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117434480
1-(4-methoxy-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435907
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
6-(1-isocyanatocyclopentyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 117431375

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid (CID 117405081) is 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid is COc1c(C2(C(=O)O)CCCC2)ccc2c1CCC2.
What is the InChIKey of 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KXORBWOSIHZNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-14-12-6-4-5-11(12)7-8-13(14)16(15(17)18)9-2-3-10-16/h7-8H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid?
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117405081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).