2-butoxy-1,3-diphenylprop-2-en-1-one

C19H20O2 — CID 57177461

IUPAC2-butoxy-1,3-diphenylprop-2-en-1-one
SMILESCCCCOC(=Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-14-21-18(15-16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyZTMLZZXJBJUPKZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.73
Rot. Bonds7

About 2-butoxy-1,3-diphenylprop-2-en-1-one

2-butoxy-1,3-diphenylprop-2-en-1-one (PubChem CID 57177461) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-butoxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name2-butoxy-1,3-diphenylprop-2-en-1-one
PubChem CID57177461
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-butoxy-1,3-diphenylprop-2-en-1-one
SMILESCCCCOC(=Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-14-21-18(15-16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChIKeyZTMLZZXJBJUPKZ-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
3-pentoxy-1,4-diphenylbuta-1,3-dien-2-ol
CID 87853239
butyl (Z)-2-benzoyl-3-(4-methoxyphenyl)prop-2-enoate
CID 11624221
decyl 2-methoxy-3-phenylprop-2-enoate
CID 164571010
(111C)butyl benzoate
CID 11994383
pentyl 2-hydroxy-3-phenylprop-2-enoate
CID 139668061
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
zinc;octyl 2-methoxy-3-phenylprop-2-enoate;oxygen(2-)
CID 158496796
(2-butoxy-2-methoxyethenyl)benzene
CID 159522831
2-hexoxy-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 139651291
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of 2-butoxy-1,3-diphenylprop-2-en-1-one (CID 57177461) is 2-butoxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 2-butoxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for 2-butoxy-1,3-diphenylprop-2-en-1-one is CCCCOC(=Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-butoxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is ZTMLZZXJBJUPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-14-21-18(15-16-10-6-4-7-11-16)19(20)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 2-butoxy-1,3-diphenylprop-2-en-1-one?
2-butoxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 57177461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).