ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate

C23H24O7 — CID 24813447

IUPACethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cc(OC)c(OC)c2c(O)c1OCc1ccccc1
InChIInChI=1S/C23H24O7/c1-5-29-23(25)16-11-15-17(26-2)12-18(27-3)22(28-4)19(15)20(24)21(16)30-13-14-9-7-6-8-10-14/h6-12,24H,5,13H2,1-4H3
InChIKeyKHKRHAUDYCPNLV-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.33
Rot. Bonds8

About ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate

ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 24813447) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
PubChem CID24813447
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Nameethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cc(OC)c(OC)c2c(O)c1OCc1ccccc1
InChIInChI=1S/C23H24O7/c1-5-29-23(25)16-11-15-17(26-2)12-18(27-3)22(28-4)19(15)20(24)21(16)30-13-14-9-7-6-8-10-14/h6-12,24H,5,13H2,1-4H3
InChIKeyKHKRHAUDYCPNLV-UHFFFAOYSA-N
XLogP4.33
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
methyl 8-bromo-4-hydroxy-3,7-dimethoxy-5-phenylmethoxynaphthalene-2-carboxylate
CID 14815298
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 3-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 10741488
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate (CID 24813447) is ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate is CCOC(=O)c1cc2c(OC)cc(OC)c(OC)c2c(O)c1OCc1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is KHKRHAUDYCPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-5-29-23(25)16-11-15-17(26-2)12-18(27-3)22(28-4)19(15)20(24)21(16)30-13-14-9-7-6-8-10-14/h6-12,24H,5,13H2,1-4H3.
What are the key properties of ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate?
ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 24813447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).