2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid

C15H17ClO3 — CID 65006156

IUPAC2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CC2(CCOCC2)C1
InChIInChI=1S/C15H17ClO3/c16-12-3-1-2-11(8-12)15(13(17)18)9-14(10-15)4-6-19-7-5-14/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyVUYLUFUQBNLKHD-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.25
Rot. Bonds2

About 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid

2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 65006156) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID65006156
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CC2(CCOCC2)C1
InChIInChI=1S/C15H17ClO3/c16-12-3-1-2-11(8-12)15(13(17)18)9-14(10-15)4-6-19-7-5-14/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyVUYLUFUQBNLKHD-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006203
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
1-[4-(3-chlorophenyl)oxane-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119252081
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
4-(3,4-dichlorophenyl)oxane-4-carboxylic acid
CID 43164279
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169
1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
CID 65016810
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
[4-(3-chlorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580343

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid (CID 65006156) is 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2)CC2(CCOCC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is VUYLUFUQBNLKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c16-12-3-1-2-11(8-12)15(13(17)18)9-14(10-15)4-6-19-7-5-14/h1-3,8H,4-7,9-10H2,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid?
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 280.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 65006156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).