(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate

C19H28O4 — CID 174604122

IUPAC(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(CCC)c(OCCC)c(OCCC)c1C
InChIInChI=1S/C19H28O4/c1-6-10-15-13-16(23-17(20)9-4)14(5)18(21-11-7-2)19(15)22-12-8-3/h9,13H,4,6-8,10-12H2,1-3,5H3
InChIKeyGFQUHTANQMNWRA-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.62
Rot. Bonds10

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

(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate (PubChem CID 174604122) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
PubChem CID174604122
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(CCC)c(OCCC)c(OCCC)c1C
InChIInChI=1S/C19H28O4/c1-6-10-15-13-16(23-17(20)9-4)14(5)18(21-11-7-2)19(15)22-12-8-3/h9,13H,4,6-8,10-12H2,1-3,5H3
InChIKeyGFQUHTANQMNWRA-UHFFFAOYSA-N
XLogP4.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
CID 150531002
(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 18935688
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
3-ethyl-2-methyl-4-prop-2-enoxy-5-propylbenzoic acid
CID 3022100
(2-ethoxy-3-nonylphenyl) prop-2-enoate
CID 18622959
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
3-(2-methyl-3-prop-2-enoyloxyphenyl)propanoic acid
CID 141222895
(3-prop-2-enoyloxy-2-tetradecoxyphenyl) benzoate
CID 173404141
[2,4,5-triethoxy-3-methyl-6-(2,3,5-triethoxy-4-methyl-6-prop-2-enoyloxyphenyl)sulfanylphenyl] prop-2-enoate
CID 141113220

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate?
The IUPAC name of (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate (CID 174604122) is (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate.
What is the SMILES notation for (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate?
The canonical SMILES for (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate is C=CC(=O)Oc1cc(CCC)c(OCCC)c(OCCC)c1C.
What is the InChIKey of (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate?
The InChIKey is GFQUHTANQMNWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-6-10-15-13-16(23-17(20)9-4)14(5)18(21-11-7-2)19(15)22-12-8-3/h9,13H,4,6-8,10-12H2,1-3,5H3.
What are the key properties of (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate?
(2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dipropoxy-5-propylphenyl) prop-2-enoate is sourced from PubChem (CID 174604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).