(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C15H17ClO2 — CID 79922324

IUPAC(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClO2/c16-13-5-2-1-4-12(13)14(17)11-6-9-18-15(10-11)7-3-8-15/h1-2,4-5,11H,3,6-10H2
InChIKeyFCDBEQMZTPBUSD-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.87
Rot. Bonds2

About (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79922324) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79922324
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H17ClO2/c16-13-5-2-1-4-12(13)14(17)11-6-9-18-15(10-11)7-3-8-15/h1-2,4-5,11H,3,6-10H2
InChIKeyFCDBEQMZTPBUSD-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783977
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252
(3-bromo-2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783936
1-benzothiophen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783963
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116610554
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79922324) is (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1ccccc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is FCDBEQMZTPBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c16-13-5-2-1-4-12(13)14(17)11-6-9-18-15(10-11)7-3-8-15/h1-2,4-5,11H,3,6-10H2.
What are the key properties of (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 264.75 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79922324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).