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

C17H22O3 — CID 117438562

IUPAC1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc2c(c1C1(C(=O)O)CCCCC1)CCC2
InChIInChI=1S/C17H22O3/c1-20-14-9-8-12-6-5-7-13(12)15(14)17(16(18)19)10-3-2-4-11-17/h8-9H,2-7,10-11H2,1H3,(H,18,19)
InChIKeyTYODGJFYCLWGKH-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.47
Rot. Bonds3

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

1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 117438562) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
PubChem CID117438562
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc2c(c1C1(C(=O)O)CCCCC1)CCC2
InChIInChI=1S/C17H22O3/c1-20-14-9-8-12-6-5-7-13(12)15(14)17(16(18)19)10-3-2-4-11-17/h8-9H,2-7,10-11H2,1H3,(H,18,19)
InChIKeyTYODGJFYCLWGKH-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117336247
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid (CID 117438562) is 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid is COc1ccc2c(c1C1(C(=O)O)CCCCC1)CCC2.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is TYODGJFYCLWGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-20-14-9-8-12-6-5-7-13(12)15(14)17(16(18)19)10-3-2-4-11-17/h8-9H,2-7,10-11H2,1H3,(H,18,19).
What are the key properties of 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid?
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117438562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).