ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate

C21H20O5 — CID 132539283

IUPACethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2c(OC)cc(OC)cc2c1O
InChIInChI=1S/C21H20O5/c1-4-26-21(23)19-15(13-8-6-5-7-9-13)12-16-17(20(19)22)10-14(24-2)11-18(16)25-3/h5-12,22H,4H2,1-3H3
InChIKeyPYRXUDCVDFMTEV-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.41
Rot. Bonds5

About ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate

ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate (PubChem CID 132539283) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
PubChem CID132539283
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Nameethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2c(OC)cc(OC)cc2c1O
InChIInChI=1S/C21H20O5/c1-4-26-21(23)19-15(13-8-6-5-7-9-13)12-16-17(20(19)22)10-14(24-2)11-18(16)25-3/h5-12,22H,4H2,1-3H3
InChIKeyPYRXUDCVDFMTEV-UHFFFAOYSA-N
XLogP4.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
ethyl 3-[(3,4-dimethoxyphenyl)-(3-ethoxycarbonyl-2-hydroxyazulen-1-yl)methyl]-2-hydroxyazulene-1-carboxylate
CID 141350342
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate (CID 132539283) is ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc2c(OC)cc(OC)cc2c1O.
What is the InChIKey of ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate?
The InChIKey is PYRXUDCVDFMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-4-26-21(23)19-15(13-8-6-5-7-9-13)12-16-17(20(19)22)10-14(24-2)11-18(16)25-3/h5-12,22H,4H2,1-3H3.
What are the key properties of ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate?
ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate is sourced from PubChem (CID 132539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).