methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate

C24H26O5 — CID 67615700

IUPACmethyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(OC)c(OC)cc2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26O5/c1-24(2,3)15-9-7-14(8-10-15)22-17-13-21(28-5)20(27-4)12-16(17)19(25)11-18(22)23(26)29-6/h7-13,25H,1-6H3
InChIKeyAMENAORNAVPPQC-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.31
Rot. Bonds4

About methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate

methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate (PubChem CID 67615700) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
PubChem CID67615700
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Namemethyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(OC)c(OC)cc2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H26O5/c1-24(2,3)15-9-7-14(8-10-15)22-17-13-21(28-5)20(27-4)12-16(17)19(25)11-18(22)23(26)29-6/h7-13,25H,1-6H3
InChIKeyAMENAORNAVPPQC-UHFFFAOYSA-N
XLogP5.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-acetyloxy-1-(4-tert-butylphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 67615814
tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
CID 3478578
methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 18369996
methyl 1-hydroxy-9-methoxy-4-methylphenanthrene-3-carboxylate
CID 22412484
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
tert-butyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 3679336
methyl 3-(4-tert-butylphenyl)-5-(1,1-difluoroethyl)benzoate
CID 102301048
methyl 5-tert-butyl-2-(4-tert-butyl-2,3-dimethoxy-6-methoxycarbonylphenyl)-3,4-dimethoxybenzoate
CID 15908511
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate (CID 67615700) is methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate is COC(=O)c1cc(O)c2cc(OC)c(OC)cc2c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate?
The InChIKey is AMENAORNAVPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5/c1-24(2,3)15-9-7-14(8-10-15)22-17-13-21(28-5)20(27-4)12-16(17)19(25)11-18(22)23(26)29-6/h7-13,25H,1-6H3.
What are the key properties of methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate?
methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 67615700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).