2-(1-hydroxycyclohexyl)-1-phenylethanone

C14H18O2 — CID 10420939

IUPAC2-(1-hydroxycyclohexyl)-1-phenylethanone
SMILESO=C(CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-13(12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2
InChIKeyHRPUANCEDYZMFT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.95
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-phenylethanone

2-(1-hydroxycyclohexyl)-1-phenylethanone (PubChem CID 10420939) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-phenylethanone
PubChem CID10420939
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(1-hydroxycyclohexyl)-1-phenylethanone
SMILESO=C(CC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H18O2/c15-13(12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2
InChIKeyHRPUANCEDYZMFT-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-phenylethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-phenylethanone (CID 10420939) is 2-(1-hydroxycyclohexyl)-1-phenylethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-phenylethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-phenylethanone is O=C(CC1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-phenylethanone?
The InChIKey is HRPUANCEDYZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13(12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-phenylethanone?
2-(1-hydroxycyclohexyl)-1-phenylethanone has a molecular weight of 218.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-phenylethanone is sourced from PubChem (CID 10420939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).