1-(2,4-dihydroxy-6-propylphenyl)ethanone

C11H14O3 — CID 131973876

IUPAC1-(2,4-dihydroxy-6-propylphenyl)ethanone
SMILESCCCc1cc(O)cc(O)c1C(C)=O
InChIInChI=1S/C11H14O3/c1-3-4-8-5-9(13)6-10(14)11(8)7(2)12/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFEEOESQZERTZAT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,4-dihydroxy-6-propylphenyl)ethanone

1-(2,4-dihydroxy-6-propylphenyl)ethanone (PubChem CID 131973876) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-6-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxy-6-propylphenyl)ethanone
PubChem CID131973876
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2,4-dihydroxy-6-propylphenyl)ethanone
SMILESCCCc1cc(O)cc(O)c1C(C)=O
InChIInChI=1S/C11H14O3/c1-3-4-8-5-9(13)6-10(14)11(8)7(2)12/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFEEOESQZERTZAT-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-heptyl-4,6-dihydroxybenzoate
CID 14581930
3-(2,4-dihydroxy-6-propylbenzoyl)oxy-2-hydroxy-4-methoxy-6-propylbenzoic acid
CID 53439657
2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
CID 22665100
2-propylbenzene-1,3,5-triol
CID 13411724
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
CID 24972403
2-methyl-6-propylbenzene-1,4-diol
CID 11708116
1-(7-hydroxy-5-propyl-1,3-benzothiazol-6-yl)ethanone
CID 70804592
(3-hydroxy-5-methylphenyl) 2-hydroxy-4-methoxy-6-propylbenzoate
CID 170988671
2-(3,5-dihydroxy-2-octanoylphenyl)acetic acid
CID 10589878
4,6-dipropylbenzene-1,3-diol
CID 70496109
N-hexyl-2,4,6-trihydroxybenzamide
CID 14837586
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-6-propylphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxy-6-propylphenyl)ethanone (CID 131973876) is 1-(2,4-dihydroxy-6-propylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxy-6-propylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxy-6-propylphenyl)ethanone is CCCc1cc(O)cc(O)c1C(C)=O.
What is the InChIKey of 1-(2,4-dihydroxy-6-propylphenyl)ethanone?
The InChIKey is FEEOESQZERTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-8-5-9(13)6-10(14)11(8)7(2)12/h5-6,13-14H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxy-6-propylphenyl)ethanone?
1-(2,4-dihydroxy-6-propylphenyl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-6-propylphenyl)ethanone is sourced from PubChem (CID 131973876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).