2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid

C16H18O2 — CID 154135163

IUPAC2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid
SMILESO=C(O)Cc1ccc2c(c1)C=CC21CCCCC1
InChIInChI=1S/C16H18O2/c17-15(18)11-12-4-5-14-13(10-12)6-9-16(14)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2,(H,17,18)
InChIKeyHFZRHMCZYMOOBP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.54
Rot. Bonds2

About 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid

2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid (PubChem CID 154135163) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid.

Molecular Properties

Compound Name2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid
PubChem CID154135163
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid
SMILESO=C(O)Cc1ccc2c(c1)C=CC21CCCCC1
InChIInChI=1S/C16H18O2/c17-15(18)11-12-4-5-14-13(10-12)6-9-16(14)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2,(H,17,18)
InChIKeyHFZRHMCZYMOOBP-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-bis(1-hydroxycyclohexyl)phenyl]acetic acid
CID 151833812
2-(3,3-dimethyl-2H-1-benzofuran-6-yl)acetic acid
CID 151857568
2-(2-methyl-1,1-dioxo-1-benzothiophen-5-yl)acetic acid
CID 117204622
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)acetic acid
CID 135263398
2-[3-(cyclohexen-1-yl)phenyl]acetic acid
CID 115029618
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387

Frequently Asked Questions

What is the IUPAC name of 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid?
The IUPAC name of 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid (CID 154135163) is 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid.
What is the SMILES notation for 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid?
The canonical SMILES for 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid is O=C(O)Cc1ccc2c(c1)C=CC21CCCCC1.
What is the InChIKey of 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid?
The InChIKey is HFZRHMCZYMOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c17-15(18)11-12-4-5-14-13(10-12)6-9-16(14)7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2,(H,17,18).
What are the key properties of 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid?
2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid has a molecular weight of 242.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[cyclohexane-1,1'-indene]-5'-ylacetic acid is sourced from PubChem (CID 154135163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).