6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one

C14H16O3 — CID 3243908

IUPAC6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccc(O)cc21
InChIInChI=1S/C14H16O3/c15-10-4-5-13-11(8-10)12(16)9-14(17-13)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChIKeyMWAGQRLEBNHEKW-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.06
Rot. Bonds

About 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one

6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 3243908) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID3243908
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccc(O)cc21
InChIInChI=1S/C14H16O3/c15-10-4-5-13-11(8-10)12(16)9-14(17-13)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChIKeyMWAGQRLEBNHEKW-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
6-hydroxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207071
6-ethylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 91264802
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl) benzenesulfonate
CID 10761803
6-bromo-4'-propan-2-ylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 114674282
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
6-bromo-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylic acid
CID 123756935
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759580

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 3243908) is 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one is O=C1CC2(CCCCC2)Oc2ccc(O)cc21.
What is the InChIKey of 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is MWAGQRLEBNHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-10-4-5-13-11(8-10)12(16)9-14(17-13)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2.
What are the key properties of 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one?
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 232.28 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 3243908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).