1-(2,4-dihydroxyphenyl)undecan-2-one

C17H26O3 — CID 21116378

IUPAC1-(2,4-dihydroxyphenyl)undecan-2-one
SMILESCCCCCCCCCC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3
InChIKeyZCDLYKFRHUMMOU-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.35
Rot. Bonds10

About 1-(2,4-dihydroxyphenyl)undecan-2-one

1-(2,4-dihydroxyphenyl)undecan-2-one (PubChem CID 21116378) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)undecan-2-one.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)undecan-2-one
PubChem CID21116378
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-(2,4-dihydroxyphenyl)undecan-2-one
SMILESCCCCCCCCCC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3
InChIKeyZCDLYKFRHUMMOU-UHFFFAOYSA-N
XLogP4.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tricosylbenzene-1,3-diol
CID 101133990
4-ethylbenzene-1,3-diol
CID 17927
1-(2-fluorophenyl)octan-2-one
CID 62620630
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
1-(2-chloro-4-methylphenyl)octan-2-one
CID 106865282
benzene-1,3-diol;decanoic acid
CID 175490572
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
2-[4-(2-oxoundecyl)phenyl]acetic acid
CID 157258088
2-tridecylbenzene-1,4-diol
CID 19033717
1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 162134258

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)undecan-2-one?
The IUPAC name of 1-(2,4-dihydroxyphenyl)undecan-2-one (CID 21116378) is 1-(2,4-dihydroxyphenyl)undecan-2-one.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)undecan-2-one?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)undecan-2-one is CCCCCCCCCC(=O)Cc1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)undecan-2-one?
The InChIKey is ZCDLYKFRHUMMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)undecan-2-one?
1-(2,4-dihydroxyphenyl)undecan-2-one has a molecular weight of 278.39 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)undecan-2-one is sourced from PubChem (CID 21116378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).