1-[4-(1-hydroxyoctadecyl)phenyl]ethanone

C26H44O2 — CID 175118558

IUPAC1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
SMILESCCCCCCCCCCCCCCCCCC(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)25-21-19-24(20-22-25)23(2)27/h19-22,26,28H,3-18H2,1-2H3
InChIKeyJYNSHINOJYLSBV-UHFFFAOYSA-N
MW388.64 g/mol
LogP8.18
Rot. Bonds18

About 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone

1-[4-(1-hydroxyoctadecyl)phenyl]ethanone (PubChem CID 175118558) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
PubChem CID175118558
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
SMILESCCCCCCCCCCCCCCCCCC(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)25-21-19-24(20-22-25)23(2)27/h19-22,26,28H,3-18H2,1-2H3
InChIKeyJYNSHINOJYLSBV-UHFFFAOYSA-N
XLogP8.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.18
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

4-(1-hydroxytridecyl)phenol
CID 57120972
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-phenyloctan-1-ol
CID 12794259
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
CID 159543054
1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
1-[4-(2-bromooctyl)phenyl]ethanone
CID 70126047
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone (CID 175118558) is 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone is CCCCCCCCCCCCCCCCCC(O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone?
The InChIKey is JYNSHINOJYLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)25-21-19-24(20-22-25)23(2)27/h19-22,26,28H,3-18H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone?
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone has a molecular weight of 388.64 g/mol, XLogP of 8.18, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyoctadecyl)phenyl]ethanone is sourced from PubChem (CID 175118558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).