2-hydroxy-1-(3-propylphenyl)pentan-1-one

C14H20O2 — CID 103453885

IUPAC2-hydroxy-1-(3-propylphenyl)pentan-1-one
SMILESCCCc1cccc(C(=O)C(O)CCC)c1
InChIInChI=1S/C14H20O2/c1-3-6-11-8-5-9-12(10-11)14(16)13(15)7-4-2/h5,8-10,13,15H,3-4,6-7H2,1-2H3
InChIKeyZMUKFVQAFOOJCG-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.98
Rot. Bonds6

About 2-hydroxy-1-(3-propylphenyl)pentan-1-one

2-hydroxy-1-(3-propylphenyl)pentan-1-one (PubChem CID 103453885) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-hydroxy-1-(3-propylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(3-propylphenyl)pentan-1-one
PubChem CID103453885
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-hydroxy-1-(3-propylphenyl)pentan-1-one
SMILESCCCc1cccc(C(=O)C(O)CCC)c1
InChIInChI=1S/C14H20O2/c1-3-6-11-8-5-9-12(10-11)14(16)13(15)7-4-2/h5,8-10,13,15H,3-4,6-7H2,1-2H3
InChIKeyZMUKFVQAFOOJCG-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-hydroxypentan-1-one
CID 67470935
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
2-amino-1-(3-propylphenyl)pent-4-yn-1-one
CID 116606647
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
2-hydroxy-1-(3-methylphenyl)nonan-1-one
CID 70534540
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
1-(3-propylphenyl)heptan-1-one
CID 115812204
3-(3-hydroxypentyl)benzoic acid
CID 174536442
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-propylphenyl)pentan-1-one?
The IUPAC name of 2-hydroxy-1-(3-propylphenyl)pentan-1-one (CID 103453885) is 2-hydroxy-1-(3-propylphenyl)pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-(3-propylphenyl)pentan-1-one?
The canonical SMILES for 2-hydroxy-1-(3-propylphenyl)pentan-1-one is CCCc1cccc(C(=O)C(O)CCC)c1.
What is the InChIKey of 2-hydroxy-1-(3-propylphenyl)pentan-1-one?
The InChIKey is ZMUKFVQAFOOJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-6-11-8-5-9-12(10-11)14(16)13(15)7-4-2/h5,8-10,13,15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-hydroxy-1-(3-propylphenyl)pentan-1-one?
2-hydroxy-1-(3-propylphenyl)pentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-propylphenyl)pentan-1-one is sourced from PubChem (CID 103453885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).