3-(3,4-dimethoxyphenyl)propyl prop-2-enoate

C14H18O4 — CID 67718834

IUPAC3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18O4/c1-4-14(15)18-9-5-6-11-7-8-12(16-2)13(10-11)17-3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyMQAPBWPSEPDFRG-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.37
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate

3-(3,4-dimethoxyphenyl)propyl prop-2-enoate (PubChem CID 67718834) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
PubChem CID67718834
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18O4/c1-4-14(15)18-9-5-6-11-7-8-12(16-2)13(10-11)17-3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyMQAPBWPSEPDFRG-UHFFFAOYSA-N
XLogP2.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[3-[3-methoxy-4-(6-prop-2-enoyloxyhexoxy)phenyl]propoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118579779
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
CID 88651362
tert-butyl 3-[3-methoxy-4-(trideuteriomethoxy)phenyl]propyl carbonate
CID 58030518
3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoic acid
CID 141296791
(4-octylphenyl) 3-methoxy-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 90266004
(4-nonylphenyl) 3-methoxy-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 90265971
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
ethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 3-methoxy-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 144596343
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate?
The IUPAC name of 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate (CID 67718834) is 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate is C=CC(=O)OCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate?
The InChIKey is MQAPBWPSEPDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-14(15)18-9-5-6-11-7-8-12(16-2)13(10-11)17-3/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate?
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)propyl prop-2-enoate is sourced from PubChem (CID 67718834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).