(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one

C14H18O4 — CID 11776877

IUPAC(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C(=O)/C=C\OCC)c(O)c1
InChIInChI=1S/C14H18O4/c1-3-8-18-11-5-6-12(14(16)10-11)13(15)7-9-17-4-2/h5-7,9-10,16H,3-4,8H2,1-2H3/b9-7-
InChIKeyTZPWFEUPWONIJI-CLFYSBASSA-N
MW250.29 g/mol
LogP2.91
Rot. Bonds7

About (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one

(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one (PubChem CID 11776877) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one
PubChem CID11776877
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(C(=O)/C=C\OCC)c(O)c1
InChIInChI=1S/C14H18O4/c1-3-8-18-11-5-6-12(14(16)10-11)13(15)7-9-17-4-2/h5-7,9-10,16H,3-4,8H2,1-2H3/b9-7-
InChIKeyTZPWFEUPWONIJI-CLFYSBASSA-N
XLogP2.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-1-(4-hexoxy-2-hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 67541390
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
1-[4-(3-chloropropoxy)-2-hydroxyphenyl]-3-(dimethylamino)prop-2-en-1-one
CID 2766149
1-(2,5-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 76951460
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
(E)-1-[4-[6-(diethylamino)hexoxy]-2-hydroxyphenyl]-3-[4-[6-(diethylamino)hexoxy]phenyl]prop-2-en-1-one
CID 155510534
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
3-[4-[3-(4-ethoxy-3-hydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy]propane-1-sulfonic acid
CID 57157663
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one (CID 11776877) is (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one is CCCOc1ccc(C(=O)/C=C\OCC)c(O)c1.
What is the InChIKey of (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one?
The InChIKey is TZPWFEUPWONIJI-CLFYSBASSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-8-18-11-5-6-12(14(16)10-11)13(15)7-9-17-4-2/h5-7,9-10,16H,3-4,8H2,1-2H3/b9-7-.
What are the key properties of (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one?
(Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one has a molecular weight of 250.29 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-1-(2-hydroxy-4-propoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 11776877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).