1-(2-hydroxy-5-nonylphenyl)ethanone

C17H26O2 — CID 10869095

IUPAC1-(2-hydroxy-5-nonylphenyl)ethanone
SMILESCCCCCCCCCc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14(2)18/h11-13,19H,3-10H2,1-2H3
InChIKeyYOZKOKADBZMBKY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.89
Rot. Bonds9

About 1-(2-hydroxy-5-nonylphenyl)ethanone

1-(2-hydroxy-5-nonylphenyl)ethanone (PubChem CID 10869095) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-nonylphenyl)ethanone
PubChem CID10869095
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-hydroxy-5-nonylphenyl)ethanone
SMILESCCCCCCCCCc1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14(2)18/h11-13,19H,3-10H2,1-2H3
InChIKeyYOZKOKADBZMBKY-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
2-acetyl-4-dodecylbenzenesulfonic acid
CID 87622601
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
2-ethyl-4-heptylphenol
CID 58289223
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
1-N',3-N'-bis(2-hydroxy-5-pentylbenzoyl)-2-nonylpropanedihydrazide
CID 101307001

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nonylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-5-nonylphenyl)ethanone (CID 10869095) is 1-(2-hydroxy-5-nonylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-5-nonylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-5-nonylphenyl)ethanone is CCCCCCCCCc1ccc(O)c(C(C)=O)c1.
What is the InChIKey of 1-(2-hydroxy-5-nonylphenyl)ethanone?
The InChIKey is YOZKOKADBZMBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-15-11-12-17(19)16(13-15)14(2)18/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 1-(2-hydroxy-5-nonylphenyl)ethanone?
1-(2-hydroxy-5-nonylphenyl)ethanone has a molecular weight of 262.39 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nonylphenyl)ethanone is sourced from PubChem (CID 10869095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).