3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate

C23H24O5 — CID 123804036

IUPAC3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC)cc1)=C2
InChIInChI=1S/C23H24O5/c1-15(2)22(24)27-12-4-5-16-6-7-18-14-20(23(25)28-21(18)13-16)17-8-10-19(26-3)11-9-17/h6-11,13-14,23,25H,1,4-5,12H2,2-3H3
InChIKeyBHLKNPPAYYTMSA-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.00
Rot. Bonds7

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

3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate (PubChem CID 123804036) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate
PubChem CID123804036
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC)cc1)=C2
InChIInChI=1S/C23H24O5/c1-15(2)22(24)27-12-4-5-16-6-7-18-14-20(23(25)28-21(18)13-16)17-8-10-19(26-3)11-9-17/h6-11,13-14,23,25H,1,4-5,12H2,2-3H3
InChIKeyBHLKNPPAYYTMSA-UHFFFAOYSA-N
XLogP4.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(4-prop-2-enoyloxyphenyl)-2H-chromen-7-yl]propyl prop-2-enoate
CID 123516697
3-[4-(4-ethenoxyphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 142602377
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[7-[3-(2-methylprop-2-enoyloxy)propyl]phenanthren-2-yl] 2,2-dimethylpropanoate
CID 123815612
2-O-[2-[(2-methoxy-2-oxoacetyl)oxymethyl]-2-(2-methylprop-2-enoyloxymethyl)-3-[4-[4-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]phenoxy]propyl] 1-O-methyl oxalate
CID 170291208
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543
3-[6-methyl-7-(2-methylprop-2-enoyloxy)-5,6-dihydrophenanthren-2-yl]propyl 2-methylprop-2-enoate
CID 66829102
3-[3-[4-(2-methylprop-2-enoyloxy)phenyl]-2-oxo-3,4-dihydrochromen-7-yl]propyl 2-methylprop-2-enoate
CID 138664064
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
3-[2-oxo-3-(4-propanoyloxyphenyl)chromen-7-yl]propyl 2-methylprop-2-enoate
CID 147236134
3-[4-[3-amino-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 163691832
4-(3,4-dihydroxyphenyl)butyl 2-methylprop-2-enoate
CID 167431322

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate (CID 123804036) is 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1ccc2c(c1)OC(O)C(c1ccc(OC)cc1)=C2.
What is the InChIKey of 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate?
The InChIKey is BHLKNPPAYYTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c1-15(2)22(24)27-12-4-5-16-6-7-18-14-20(23(25)28-21(18)13-16)17-8-10-19(26-3)11-9-17/h6-11,13-14,23,25H,1,4-5,12H2,2-3H3.
What are the key properties of 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate?
3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate has a molecular weight of 380.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-methoxyphenyl)-2H-chromen-7-yl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 123804036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).