2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid

C18H18O8 — CID 139583434

IUPAC2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid
SMILESCOC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(OC)c1C(=O)O
InChIInChI=1S/C18H18O8/c1-9-5-12(23-2)15(17(20)21)13(6-9)26-16-11(18(22)25-4)7-10(19)8-14(16)24-3/h5-8,19H,1-4H3,(H,20,21)
InChIKeyWNYUTRBXWKTNBF-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid

2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid (PubChem CID 139583434) has the molecular formula C18H18O8 and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid
PubChem CID139583434
Molecular FormulaC18H18O8
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Name2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid
SMILESCOC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(OC)c1C(=O)O
InChIInChI=1S/C18H18O8/c1-9-5-12(23-2)15(17(20)21)13(6-9)26-16-11(18(22)25-4)7-10(19)8-14(16)24-3/h5-8,19H,1-4H3,(H,20,21)
InChIKeyWNYUTRBXWKTNBF-UHFFFAOYSA-N
XLogP2.99
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(dihydroxyamino)-4-hydroxy-6-methoxy-2-methoxycarbonylphenoxy]-6-hydroxy-4-methylbenzoic acid
CID 163172411
3-methoxy-5-methylphthalic acid
CID 12908895
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
2-hydroxy-3-(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy-4-methoxy-6-propylbenzoic acid
CID 586814
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
propan-2-yl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate
CID 139683765
methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
2,4-dichloro-5-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylbenzoyl)-3-methylphenolate
CID 154586186

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid?
The IUPAC name of 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid (CID 139583434) is 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid.
What is the SMILES notation for 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid?
The canonical SMILES for 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid is COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(OC)c1C(=O)O.
What is the InChIKey of 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid?
The InChIKey is WNYUTRBXWKTNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O8/c1-9-5-12(23-2)15(17(20)21)13(6-9)26-16-11(18(22)25-4)7-10(19)8-14(16)24-3/h5-8,19H,1-4H3,(H,20,21).
What are the key properties of 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid?
2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid has a molecular weight of 362.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid is sourced from PubChem (CID 139583434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).