1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one

C15H20O4 — CID 28896001

IUPAC1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
SMILESCCCOc1ccc(C(=O)C=CO)cc1OCCC
InChIInChI=1S/C15H20O4/c1-3-9-18-14-6-5-12(13(17)7-8-16)11-15(14)19-10-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyRVZSQVYHCODOJO-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.52
Rot. Bonds8

About 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one

1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one (PubChem CID 28896001) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one.

Molecular Properties

Compound Name1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
PubChem CID28896001
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
SMILESCCCOc1ccc(C(=O)C=CO)cc1OCCC
InChIInChI=1S/C15H20O4/c1-3-9-18-14-6-5-12(13(17)7-8-16)11-15(14)19-10-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyRVZSQVYHCODOJO-UHFFFAOYSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dipropoxyphenyl)-3-ethoxyprop-2-en-1-one
CID 76951288
(E)-3-(3,4-dipropoxyphenyl)hex-2-enoic acid
CID 83957950
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
3-(4-bromophenyl)-1-(3,4-dibutoxyphenyl)prop-2-en-1-one
CID 4191103
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
1-(3,4-difluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 75849622
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448246
2-bromo-1-(3,4-dipropoxyphenyl)butan-1-one
CID 63385990
4-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112216
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
3-amino-1-(3,4-dipropoxyphenyl)butan-1-one
CID 81462222

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one?
The IUPAC name of 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one (CID 28896001) is 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one.
What is the SMILES notation for 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one?
The canonical SMILES for 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one is CCCOc1ccc(C(=O)C=CO)cc1OCCC.
What is the InChIKey of 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one?
The InChIKey is RVZSQVYHCODOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-9-18-14-6-5-12(13(17)7-8-16)11-15(14)19-10-4-2/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one?
1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one is sourced from PubChem (CID 28896001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).