ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one

C19H22O4 — CID 163381454

IUPACethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
SMILESCC.COCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1
InChIInChI=1S/C17H16O4.C2H6/c1-20-12-21-14-8-9-15(17(19)11-14)16(18)10-7-13-5-3-2-4-6-13;1-2/h2-11,19H,12H2,1H3;1-2H3/b10-7+;
InChIKeyIWEMMHXNEIUKAI-HCUGZAAXSA-N
MW314.38 g/mol
LogP4.30
Rot. Bonds6

About ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one

ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 163381454) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Nameethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
PubChem CID163381454
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
SMILESCC.COCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1
InChIInChI=1S/C17H16O4.C2H6/c1-20-12-21-14-8-9-15(17(19)11-14)16(18)10-7-13-5-3-2-4-6-13;1-2/h2-11,19H,12H2,1H3;1-2H3/b10-7+;
InChIKeyIWEMMHXNEIUKAI-HCUGZAAXSA-N
XLogP4.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-hydroxy-4-prop-2-ynoxyphenyl)-3-phenylprop-2-en-1-one
CID 118737996
(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16737077
1-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-hydroxyphenyl]-3-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]prop-2-en-1-one
CID 168806042
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19540627
(E)-3-(4-fluorophenyl)-1-[4-(methoxymethoxy)-2-methylphenyl]prop-2-en-1-one
CID 167088450
(E)-1-[4-[6-(diethylamino)hexoxy]-2-hydroxyphenyl]-3-[4-[6-(diethylamino)hexoxy]phenyl]prop-2-en-1-one
CID 155510534
(E)-1-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 82638845
3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 163408612
3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 74327076
(E)-3-(3,5-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 57391893
2-hydroxy-4-(2-methoxyethoxy)-N-(2-phenylethenyl)benzamide
CID 174690437
(E)-1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139078667

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one (CID 163381454) is ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one is CC.COCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1.
What is the InChIKey of ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is IWEMMHXNEIUKAI-HCUGZAAXSA-N. The full InChI is InChI=1S/C17H16O4.C2H6/c1-20-12-21-14-8-9-15(17(19)11-14)16(18)10-7-13-5-3-2-4-6-13;1-2/h2-11,19H,12H2,1H3;1-2H3/b10-7+;.
What are the key properties of ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one?
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 163381454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).