3-(2-hydroxyethyl)-5-phenylpentan-2-one

C13H18O2 — CID 103344035

IUPAC3-(2-hydroxyethyl)-5-phenylpentan-2-one
SMILESCC(=O)C(CCO)CCc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(15)13(9-10-14)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3
InChIKeyWHFICPMFCRCKHW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.21
Rot. Bonds6

About 3-(2-hydroxyethyl)-5-phenylpentan-2-one

3-(2-hydroxyethyl)-5-phenylpentan-2-one (PubChem CID 103344035) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-phenylpentan-2-one
PubChem CID103344035
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-(2-hydroxyethyl)-5-phenylpentan-2-one
SMILESCC(=O)C(CCO)CCc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(15)13(9-10-14)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3
InChIKeyWHFICPMFCRCKHW-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
(3S,7R)-3,7-diethyl-9-phenylnonan-2-one
CID 101041675
3-amino-5-phenylpentan-2-one;propane
CID 143988472
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
3-iodo-5-phenylpentan-1-ol
CID 72737270
2-methyl-4-phenylbutanoic acid
CID 66896591
3-benzylhexan-2-one
CID 12816361
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-phenylpentan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-phenylpentan-2-one (CID 103344035) is 3-(2-hydroxyethyl)-5-phenylpentan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-phenylpentan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-phenylpentan-2-one is CC(=O)C(CCO)CCc1ccccc1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-phenylpentan-2-one?
The InChIKey is WHFICPMFCRCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(15)13(9-10-14)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-5-phenylpentan-2-one?
3-(2-hydroxyethyl)-5-phenylpentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-phenylpentan-2-one is sourced from PubChem (CID 103344035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).