(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate

C18H26O5 — CID 150531002

IUPAC(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(CCC)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C18H26O5/c1-6-11-13-12-14(23-15(19)7-2)17(21-9-4)18(22-10-5)16(13)20-8-3/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyIDVOKTLRWVAHME-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.93
Rot. Bonds10

About (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate

(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate (PubChem CID 150531002) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
PubChem CID150531002
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(CCC)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C18H26O5/c1-6-11-13-12-14(23-15(19)7-2)17(21-9-4)18(22-10-5)16(13)20-8-3/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyIDVOKTLRWVAHME-UHFFFAOYSA-N
XLogP3.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
CID 174604122
(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 18935688
(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
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
CID 141071833
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
CID 59739200
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444

Frequently Asked Questions

What is the IUPAC name of (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate?
The IUPAC name of (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate (CID 150531002) is (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate.
What is the SMILES notation for (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate?
The canonical SMILES for (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate is C=CC(=O)Oc1cc(CCC)c(OCC)c(OCC)c1OCC.
What is the InChIKey of (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate?
The InChIKey is IDVOKTLRWVAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-6-11-13-12-14(23-15(19)7-2)17(21-9-4)18(22-10-5)16(13)20-8-3/h7,12H,2,6,8-11H2,1,3-5H3.
What are the key properties of (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate?
(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-triethoxy-5-propylphenyl) prop-2-enoate is sourced from PubChem (CID 150531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).