(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

C19H18O4 — CID 15643084

IUPAC(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCC(=O)c1cc(C(=O)/C=C/c2ccc(OC)cc2)ccc1O
InChIInChI=1S/C19H18O4/c1-3-17(20)16-12-14(7-11-19(16)22)18(21)10-6-13-4-8-15(23-2)9-5-13/h4-12,22H,3H2,1-2H3/b10-6+
InChIKeyCUJFQYDWLVUFPV-UXBLZVDNSA-N
MW310.35 g/mol
LogP3.89
Rot. Bonds6

About (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 15643084) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID15643084
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCC(=O)c1cc(C(=O)/C=C/c2ccc(OC)cc2)ccc1O
InChIInChI=1S/C19H18O4/c1-3-17(20)16-12-14(7-11-19(16)22)18(21)10-6-13-4-8-15(23-2)9-5-13/h4-12,22H,3H2,1-2H3/b10-6+
InChIKeyCUJFQYDWLVUFPV-UXBLZVDNSA-N
XLogP3.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 9448589
(E)-3-(3-bromo-4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 9067365
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-methoxyphenyl)prop-2-en-1-one;hydrochloride
CID 6519103

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 15643084) is (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is CCC(=O)c1cc(C(=O)/C=C/c2ccc(OC)cc2)ccc1O.
What is the InChIKey of (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is CUJFQYDWLVUFPV-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-17(20)16-12-14(7-11-19(16)22)18(21)10-6-13-4-8-15(23-2)9-5-13/h4-12,22H,3H2,1-2H3/b10-6+.
What are the key properties of (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 15643084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).