(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone

C19H20O2 — CID 12931980

IUPAC(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCCC1(O)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1-6,9-12,17,21H,7-8,13-14H2
InChIKeyNVTMLOQTMRYXMJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.95
Rot. Bonds3

About (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone

(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone (PubChem CID 12931980) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone
PubChem CID12931980
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCCC1(O)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1-6,9-12,17,21H,7-8,13-14H2
InChIKeyNVTMLOQTMRYXMJ-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone (CID 12931980) is (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone is O=C(c1ccccc1)C1CCCCC1(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone?
The InChIKey is NVTMLOQTMRYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(15-9-3-1-4-10-15)17-13-7-8-14-19(17,21)16-11-5-2-6-12-16/h1-6,9-12,17,21H,7-8,13-14H2.
What are the key properties of (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone?
(2-hydroxy-2-phenylcyclohexyl)-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylcyclohexyl)-phenylmethanone is sourced from PubChem (CID 12931980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).