tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate

C24H26O6 — CID 3478578

IUPACtert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
SMILESCOc1cccc(-c2c(C(=O)OC(C)(C)C)cc(O)c3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C24H26O6/c1-24(2,3)30-23(26)18-11-19(25)16-12-20(28-5)21(29-6)13-17(16)22(18)14-8-7-9-15(10-14)27-4/h7-13,25H,1-6H3
InChIKeyYJLIQWMNTXAYHX-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.19
Rot. Bonds5

About tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate

tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate (PubChem CID 3478578) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
PubChem CID3478578
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Nametert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
SMILESCOc1cccc(-c2c(C(=O)OC(C)(C)C)cc(O)c3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C24H26O6/c1-24(2,3)30-23(26)18-11-19(25)16-12-20(28-5)21(29-6)13-17(16)22(18)14-8-7-9-15(10-14)27-4/h7-13,25H,1-6H3
InChIKeyYJLIQWMNTXAYHX-UHFFFAOYSA-N
XLogP5.19
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-hydroxy-5-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
CID 44725396
methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
CID 67615700
tert-butyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 3679336
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
CID 67720502
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
tert-butyl 2-amino-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzoate
CID 68958545
1-(4-bromophenyl)-4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 170035579
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate (CID 3478578) is tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate is COc1cccc(-c2c(C(=O)OC(C)(C)C)cc(O)c3cc(OC)c(OC)cc23)c1.
What is the InChIKey of tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate?
The InChIKey is YJLIQWMNTXAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-24(2,3)30-23(26)18-11-19(25)16-12-20(28-5)21(29-6)13-17(16)22(18)14-8-7-9-15(10-14)27-4/h7-13,25H,1-6H3.
What are the key properties of tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate?
tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 3478578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).