[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate

C24H20O4 — CID 67472291

IUPAC[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(CC)cc(-c2ccc3cc(OC(=O)C=C)ccc3c2)c1
InChIInChI=1S/C24H20O4/c1-4-16-11-20(15-22(12-16)28-24(26)6-3)18-7-8-19-14-21(27-23(25)5-2)10-9-17(19)13-18/h5-15H,2-4H2,1H3
InChIKeyRRDBQMSKSVAILA-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.25
Rot. Bonds6

About [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate

[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate (PubChem CID 67472291) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
PubChem CID67472291
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(CC)cc(-c2ccc3cc(OC(=O)C=C)ccc3c2)c1
InChIInChI=1S/C24H20O4/c1-4-16-11-20(15-22(12-16)28-24(26)6-3)18-7-8-19-14-21(27-23(25)5-2)10-9-17(19)13-18/h5-15H,2-4H2,1H3
InChIKeyRRDBQMSKSVAILA-UHFFFAOYSA-N
XLogP5.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.25
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

(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118282452
[4-[2-[3,5-di(prop-2-enoyloxy)phenyl]ethyl]phenyl] prop-2-enoate
CID 126633239
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
[3,4-di(prop-2-enoyloxy)phenyl] 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118283041
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649
[6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalen-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 58471467
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
[4-(prop-2-enoyloxymethyl)phenyl] 4-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]benzoate
CID 58471477
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate?
The IUPAC name of [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate (CID 67472291) is [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate.
What is the SMILES notation for [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate?
The canonical SMILES for [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate is C=CC(=O)Oc1cc(CC)cc(-c2ccc3cc(OC(=O)C=C)ccc3c2)c1.
What is the InChIKey of [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate?
The InChIKey is RRDBQMSKSVAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-4-16-11-20(15-22(12-16)28-24(26)6-3)18-7-8-19-14-21(27-23(25)5-2)10-9-17(19)13-18/h5-15H,2-4H2,1H3.
What are the key properties of [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate?
[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate has a molecular weight of 372.42 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate is sourced from PubChem (CID 67472291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).