[4-(1-butoxyethenyl)phenyl]-phenylmethanone

C19H20O2 — CID 134834097

IUPAC[4-(1-butoxyethenyl)phenyl]-phenylmethanone
SMILESC=C(OCCCC)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-14-21-15(2)16-10-12-18(13-11-16)19(20)17-8-6-5-7-9-17/h5-13H,2-4,14H2,1H3
InChIKeyYLXQRZDFLJKICL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.70
Rot. Bonds7

About [4-(1-butoxyethenyl)phenyl]-phenylmethanone

[4-(1-butoxyethenyl)phenyl]-phenylmethanone (PubChem CID 134834097) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-(1-butoxyethenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-butoxyethenyl)phenyl]-phenylmethanone
PubChem CID134834097
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[4-(1-butoxyethenyl)phenyl]-phenylmethanone
SMILESC=C(OCCCC)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-14-21-15(2)16-10-12-18(13-11-16)19(20)17-8-6-5-7-9-17/h5-13H,2-4,14H2,1H3
InChIKeyYLXQRZDFLJKICL-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyl Benzoate
CID 2345
Hexyl benzoate
CID 23235
Di-(2-ethylhexyl) terephthalate
CID 22932
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Methyl 4-methylbenzoate
CID 7455
Di-O-benzoyldiethylene glycol
CID 8437
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Cinnamyl benzoate
CID 5705112
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Dibutyl terephthalate
CID 16066
Propylene glycol dibenzoate
CID 517637

Frequently Asked Questions

What is the IUPAC name of [4-(1-butoxyethenyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(1-butoxyethenyl)phenyl]-phenylmethanone (CID 134834097) is [4-(1-butoxyethenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(1-butoxyethenyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(1-butoxyethenyl)phenyl]-phenylmethanone is C=C(OCCCC)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(1-butoxyethenyl)phenyl]-phenylmethanone?
The InChIKey is YLXQRZDFLJKICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-4-14-21-15(2)16-10-12-18(13-11-16)19(20)17-8-6-5-7-9-17/h5-13H,2-4,14H2,1H3.
What are the key properties of [4-(1-butoxyethenyl)phenyl]-phenylmethanone?
[4-(1-butoxyethenyl)phenyl]-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butoxyethenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 134834097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).