2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid

C18H24O2 — CID 65007655

IUPAC2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
SMILESCc1ccccc1C1(C(=O)O)CC2(CCCCCC2)C1
InChIInChI=1S/C18H24O2/c1-14-8-4-5-9-15(14)18(16(19)20)12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)
InChIKeyFLLQSAMLTSTEFN-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.45
Rot. Bonds2

About 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid

2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid (PubChem CID 65007655) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
PubChem CID65007655
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
SMILESCc1ccccc1C1(C(=O)O)CC2(CCCCCC2)C1
InChIInChI=1S/C18H24O2/c1-14-8-4-5-9-15(14)18(16(19)20)12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)
InChIKeyFLLQSAMLTSTEFN-UHFFFAOYSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylphenyl)oxane-4-carboxylic acid
CID 18524018
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile
CID 65006560
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
3-(2-methylphenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 131697853
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
[2-(2-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002721
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid (CID 65007655) is 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid is Cc1ccccc1C1(C(=O)O)CC2(CCCCCC2)C1.
What is the InChIKey of 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid?
The InChIKey is FLLQSAMLTSTEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-14-8-4-5-9-15(14)18(16(19)20)12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20).
What are the key properties of 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid?
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid is sourced from PubChem (CID 65007655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).