2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone

C20H22O3 — CID 175482213

IUPAC2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(OC1CCCCC1O)c1ccccc1
InChIInChI=1S/C20H22O3/c21-17-13-7-8-14-18(17)23-20(16-11-5-2-6-12-16)19(22)15-9-3-1-4-10-15/h1-6,9-12,17-18,20-21H,7-8,13-14H2
InChIKeyAZQJEQPSZBEWFK-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone

2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone (PubChem CID 175482213) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone
PubChem CID175482213
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(OC1CCCCC1O)c1ccccc1
InChIInChI=1S/C20H22O3/c21-17-13-7-8-14-18(17)23-20(16-11-5-2-6-12-16)19(22)15-9-3-1-4-10-15/h1-6,9-12,17-18,20-21H,7-8,13-14H2
InChIKeyAZQJEQPSZBEWFK-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate
CID 10544928
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
2-amino-2-cyclobutyl-1-phenylethanone
CID 54531092

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone?
The IUPAC name of 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone (CID 175482213) is 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone?
The canonical SMILES for 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone is O=C(c1ccccc1)C(OC1CCCCC1O)c1ccccc1.
What is the InChIKey of 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone?
The InChIKey is AZQJEQPSZBEWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c21-17-13-7-8-14-18(17)23-20(16-11-5-2-6-12-16)19(22)15-9-3-1-4-10-15/h1-6,9-12,17-18,20-21H,7-8,13-14H2.
What are the key properties of 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone?
2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone has a molecular weight of 310.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone is sourced from PubChem (CID 175482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).