ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate

C32H30O6 — CID 59034792

IUPACethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1ccc2c(-c3c(O)ccc4cc(C=C(C)C(=O)OCC)ccc34)c(O)ccc2c1
InChIInChI=1S/C32H30O6/c1-5-37-31(35)19(3)15-21-7-11-25-23(17-21)9-13-27(33)29(25)30-26-12-8-22(16-20(4)32(36)38-6-2)18-24(26)10-14-28(30)34/h7-18,33-34H,5-6H2,1-4H3
InChIKeyKXQRZMAALKBWJI-UHFFFAOYSA-N
MW510.59 g/mol
LogP7.00
Rot. Bonds7

About ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate

ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate (PubChem CID 59034792) has the molecular formula C32H30O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate
PubChem CID59034792
Molecular FormulaC32H30O6
Molecular Weight510.59 g/mol
Exact Mass510.20
IUPAC Nameethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1ccc2c(-c3c(O)ccc4cc(C=C(C)C(=O)OCC)ccc34)c(O)ccc2c1
InChIInChI=1S/C32H30O6/c1-5-37-31(35)19(3)15-21-7-11-25-23(17-21)9-13-27(33)29(25)30-26-12-8-22(16-20(4)32(36)38-6-2)18-24(26)10-14-28(30)34/h7-18,33-34H,5-6H2,1-4H3
InChIKeyKXQRZMAALKBWJI-UHFFFAOYSA-N
XLogP7.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
ethyl (E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10467872
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
ethyl (E)-3-(3-hydroxy-4-prop-2-enoxyphenyl)-2-methylprop-2-enoate
CID 10084052
ethyl (E)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 139784419
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
ethyl (E)-3-(4-carbamoylphenyl)-2-methylprop-2-enoate
CID 104503414
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enoate
CID 15311955
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 67318536

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate (CID 59034792) is ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate is CCOC(=O)C(C)=Cc1ccc2c(-c3c(O)ccc4cc(C=C(C)C(=O)OCC)ccc34)c(O)ccc2c1.
What is the InChIKey of ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate?
The InChIKey is KXQRZMAALKBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O6/c1-5-37-31(35)19(3)15-21-7-11-25-23(17-21)9-13-27(33)29(25)30-26-12-8-22(16-20(4)32(36)38-6-2)18-24(26)10-14-28(30)34/h7-18,33-34H,5-6H2,1-4H3.
What are the key properties of ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate?
ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate has a molecular weight of 510.59 g/mol, XLogP of 7.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[6-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2-hydroxynaphthalen-1-yl]-6-hydroxynaphthalen-2-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 59034792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).