1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane

C13H18O2 — CID 143877999

IUPAC1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane
SMILESC=C(O)c1ccc(C(C)=O)cc1.CCC
InChIInChI=1S/C10H10O2.C3H8/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-3-2/h3-6,11H,1H2,2H3;3H2,1-2H3
InChIKeyCXEOMEWRDSQMRZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.83
Rot. Bonds2

About 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane

1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane (PubChem CID 143877999) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane.

Molecular Properties

Compound Name1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane
PubChem CID143877999
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane
SMILESC=C(O)c1ccc(C(C)=O)cc1.CCC
InChIInChI=1S/C10H10O2.C3H8/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-3-2/h3-6,11H,1H2,2H3;3H2,1-2H3
InChIKeyCXEOMEWRDSQMRZ-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
4-acetyl(11C)benzoic acid
CID 11205952
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613
1-(4-ethylphenyl)ethanone;propanamide
CID 142891370
hexane;1-phenylethanone
CID 160797049
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
lithium 1-phenylethanone
CID 22269591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane?
The IUPAC name of 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane (CID 143877999) is 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane.
What is the SMILES notation for 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane?
The canonical SMILES for 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane is C=C(O)c1ccc(C(C)=O)cc1.CCC.
What is the InChIKey of 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane?
The InChIKey is CXEOMEWRDSQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C3H8/c1-7(11)9-3-5-10(6-4-9)8(2)12;1-3-2/h3-6,11H,1H2,2H3;3H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane?
1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane has a molecular weight of 206.28 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane is sourced from PubChem (CID 143877999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).