(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

C19H18O4 — CID 48922678

IUPAC(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(OC)c1O
InChIInChI=1S/C19H18O4/c1-3-4-15-11-13(12-18(23-2)19(15)22)5-10-17(21)14-6-8-16(20)9-7-14/h3,5-12,20,22H,1,4H2,2H3/b10-5+
InChIKeyYHUUFPCVIGWYHR-BJMVGYQFSA-N
MW310.35 g/mol
LogP3.73
Rot. Bonds6

About (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 48922678) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID48922678
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESC=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(OC)c1O
InChIInChI=1S/C19H18O4/c1-3-4-15-11-13(12-18(23-2)19(15)22)5-10-17(21)14-6-8-16(20)9-7-14/h3,5-12,20,22H,1,4H2,2H3/b10-5+
InChIKeyYHUUFPCVIGWYHR-BJMVGYQFSA-N
XLogP3.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enoic acid
CID 69212456
(E)-3-[4-hydroxy-2-methoxy-3,5-bis(prop-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178142
(E)-3-[4-hydroxy-3-methoxy-5-(3-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 71731349
(E)-1-(4-fluorophenyl)-3-[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19551244
(E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19541404
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 6214893
(E)-1-(4-hydroxyphenyl)-3-[2-hydroxy-6-propan-2-yloxy-3,5-bis(prop-2-enyl)phenyl]prop-2-en-1-one
CID 18178716
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178132
3-(3,5-diethoxy-4-prop-2-enylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54086235
(E)-3-(3,4-diethoxy-5-prop-2-enylphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 67778744
(E)-1-(4-hydroxyphenyl)-3-(4-hydroxy-2-propan-2-yloxy-5-prop-2-enylphenyl)prop-2-en-1-one
CID 18178602

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 48922678) is (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is C=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(OC)c1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is YHUUFPCVIGWYHR-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-4-15-11-13(12-18(23-2)19(15)22)5-10-17(21)14-6-8-16(20)9-7-14/h3,5-12,20,22H,1,4H2,2H3/b10-5+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 48922678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).