1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one

C15H22O2 — CID 11310872

IUPAC1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
SMILESCCCc1cc(C(=O)CC)cc(CCC)c1O
InChIInChI=1S/C15H22O2/c1-4-7-11-9-13(14(16)6-3)10-12(8-5-2)15(11)17/h9-10,17H,4-8H2,1-3H3
InChIKeyHLCUBQBQGVLRKT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.89
Rot. Bonds6

About 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one

1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one (PubChem CID 11310872) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
PubChem CID11310872
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
SMILESCCCc1cc(C(=O)CC)cc(CCC)c1O
InChIInChI=1S/C15H22O2/c1-4-7-11-9-13(14(16)6-3)10-12(8-5-2)15(11)17/h9-10,17H,4-8H2,1-3H3
InChIKeyHLCUBQBQGVLRKT-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-methyl-6-propylphenol
CID 66879780
4-ethyl-2,6-dipropylphenol
CID 66879596
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
CID 68581475
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
1-[3,5-bis(sulfanyl)phenyl]propan-1-one
CID 118852624
(3,4,5-trihydroxyphenyl)-(2,3,4-trihydroxy-5-propylphenyl)methanone
CID 19910474
2-(4-propanoyl-2,6-dipropylphenoxy)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 10296070
2-butyl-4-ethyl-6-propylphenol
CID 66988794
4-phenyl-2,6-dipropylphenol
CID 66879307
N-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylprop-2-enamide
CID 21499339
2-hydroxy-3,5-dipropylbenzamide
CID 3031784

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one (CID 11310872) is 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one is CCCc1cc(C(=O)CC)cc(CCC)c1O.
What is the InChIKey of 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one?
The InChIKey is HLCUBQBQGVLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-7-11-9-13(14(16)6-3)10-12(8-5-2)15(11)17/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one?
1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one is sourced from PubChem (CID 11310872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).