(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid

C20H28O6 — CID 18935688

IUPAC(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)Oc1ccc(CCC)c(OCC)c1OCC
InChIInChI=1S/C16H22O4.C4H6O2/c1-5-9-12-10-11-13(20-14(17)6-2)16(19-8-4)15(12)18-7-3;1-3(2)4(5)6/h6,10-11H,2,5,7-9H2,1,3-4H3;1H2,2H3,(H,5,6)
InChIKeyDNNVINOOMYXKFT-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.18
Rot. Bonds9

About (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid

(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 18935688) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID18935688
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)Oc1ccc(CCC)c(OCC)c1OCC
InChIInChI=1S/C16H22O4.C4H6O2/c1-5-9-12-10-11-13(20-14(17)6-2)16(19-8-4)15(12)18-7-3;1-3(2)4(5)6/h6,10-11H,2,5,7-9H2,1,3-4H3;1H2,2H3,(H,5,6)
InChIKeyDNNVINOOMYXKFT-UHFFFAOYSA-N
XLogP4.18
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
CID 150531002
(2,3-dibutoxy-4-propylphenyl) 2-methylprop-2-enoate
CID 70638662
(2-ethoxy-3-nonylphenyl) prop-2-enoate
CID 18622959
[4-(2,3-diethoxy-4-prop-2-enoyloxyphenyl)sulfonyl-2,3-diethoxyphenyl] prop-2-enoate
CID 22620934
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
CID 141071833
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
CID 151563185
(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
CID 174604122
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728

Frequently Asked Questions

What is the IUPAC name of (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid (CID 18935688) is (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)Oc1ccc(CCC)c(OCC)c1OCC.
What is the InChIKey of (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is DNNVINOOMYXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C4H6O2/c1-5-9-12-10-11-13(20-14(17)6-2)16(19-8-4)15(12)18-7-3;1-3(2)4(5)6/h6,10-11H,2,5,7-9H2,1,3-4H3;1H2,2H3,(H,5,6).
What are the key properties of (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid?
(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 364.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 18935688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).