3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate

C24H22O6 — CID 123516697

IUPAC3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC(=O)C=C)cc1)=C2
InChIInChI=1S/C24H22O6/c1-3-22(25)28-13-5-6-16-7-8-18-15-20(24(27)30-21(18)14-16)17-9-11-19(12-10-17)29-23(26)4-2/h3-4,7-12,14-15,24,27H,1-2,5-6,13H2
InChIKeyPWOAEHXVJNXMGK-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.69
Rot. Bonds8

About 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate

3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate (PubChem CID 123516697) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate
PubChem CID123516697
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC(=O)C=C)cc1)=C2
InChIInChI=1S/C24H22O6/c1-3-22(25)28-13-5-6-16-7-8-18-15-20(24(27)30-21(18)14-16)17-9-11-19(12-10-17)29-23(26)4-2/h3-4,7-12,14-15,24,27H,1-2,5-6,13H2
InChIKeyPWOAEHXVJNXMGK-UHFFFAOYSA-N
XLogP3.69
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
3-[4-[N-naphthalen-2-yl-4-(3-prop-2-enoyloxypropyl)anilino]phenyl]propyl prop-2-enoate
CID 170682277
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
[4-[4-[3-[3-methoxy-4-(6-prop-2-enoyloxyhexoxy)phenyl]propoxy]phenyl]phenyl] 2-methylprop-2-enoate
CID 118579779
8-[4-[4-[2-(4-prop-2-enoyloxyphenyl)ethyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]octyl prop-2-enoate
CID 89021164
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
2-[3,4-di(prop-2-enoyloxy)phenyl]ethyl 4-[4-(3-prop-2-enoyloxypropoxy)phenyl]benzoate
CID 121338809

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate?
The IUPAC name of 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate (CID 123516697) is 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate.
What is the SMILES notation for 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate?
The canonical SMILES for 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate is C=CC(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC(=O)C=C)cc1)=C2.
What is the InChIKey of 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate?
The InChIKey is PWOAEHXVJNXMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-3-22(25)28-13-5-6-16-7-8-18-15-20(24(27)30-21(18)14-16)17-9-11-19(12-10-17)29-23(26)4-2/h3-4,7-12,14-15,24,27H,1-2,5-6,13H2.
What are the key properties of 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate?
3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate has a molecular weight of 406.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate is sourced from PubChem (CID 123516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).