1-[4-(6-hydroxyhexyl)phenyl]ethanone

C14H20O2 — CID 14739746

IUPAC1-[4-(6-hydroxyhexyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCCCO)cc1
InChIInChI=1S/C14H20O2/c1-12(16)14-9-7-13(8-10-14)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3
InChIKeyUDWQAJJVQVVXQO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.98
Rot. Bonds7

About 1-[4-(6-hydroxyhexyl)phenyl]ethanone

1-[4-(6-hydroxyhexyl)phenyl]ethanone (PubChem CID 14739746) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[4-(6-hydroxyhexyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-hydroxyhexyl)phenyl]ethanone
PubChem CID14739746
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[4-(6-hydroxyhexyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCCCO)cc1
InChIInChI=1S/C14H20O2/c1-12(16)14-9-7-13(8-10-14)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3
InChIKeyUDWQAJJVQVVXQO-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.98
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

p-METHYLACETOPHENONE
CID 8500
1-Hydroxycyclohexyl phenyl ketone
CID 70355
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
4'-Ethylacetophenone
CID 13642
1-(4-Ethylphenyl)propan-1-one
CID 583750
1-(4-Hexylphenyl)prop-2-en-1-one
CID 14899645
1,4-Diacetylbenzene
CID 13888
Ethanone, 1-phenyl-, dihydroxy deriv.
CID 99611
4'-Isobutylacetophenone
CID 93214
8-Oxo-8-phenyloctanoic acid
CID 298878
Heptanophenone
CID 74282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-hydroxyhexyl)phenyl]ethanone?
The IUPAC name of 1-[4-(6-hydroxyhexyl)phenyl]ethanone (CID 14739746) is 1-[4-(6-hydroxyhexyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-hydroxyhexyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(6-hydroxyhexyl)phenyl]ethanone is CC(=O)c1ccc(CCCCCCO)cc1.
What is the InChIKey of 1-[4-(6-hydroxyhexyl)phenyl]ethanone?
The InChIKey is UDWQAJJVQVVXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(16)14-9-7-13(8-10-14)6-4-2-3-5-11-15/h7-10,15H,2-6,11H2,1H3.
What are the key properties of 1-[4-(6-hydroxyhexyl)phenyl]ethanone?
1-[4-(6-hydroxyhexyl)phenyl]ethanone has a molecular weight of 220.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-hydroxyhexyl)phenyl]ethanone is sourced from PubChem (CID 14739746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).