dimethyl 4-hydroxyazulene-1,3-dicarboxylate

C14H12O5 — CID 10682741

IUPACdimethyl 4-hydroxyazulene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2c(O)ccccc1-2
InChIInChI=1S/C14H12O5/c1-18-13(16)9-7-10(14(17)19-2)12-8(9)5-3-4-6-11(12)15/h3-7,15H,1-2H3
InChIKeyDBBMHAWXVJOPED-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.07
Rot. Bonds2

About dimethyl 4-hydroxyazulene-1,3-dicarboxylate

dimethyl 4-hydroxyazulene-1,3-dicarboxylate (PubChem CID 10682741) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is dimethyl 4-hydroxyazulene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-hydroxyazulene-1,3-dicarboxylate
PubChem CID10682741
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namedimethyl 4-hydroxyazulene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2c(O)ccccc1-2
InChIInChI=1S/C14H12O5/c1-18-13(16)9-7-10(14(17)19-2)12-8(9)5-3-4-6-11(12)15/h3-7,15H,1-2H3
InChIKeyDBBMHAWXVJOPED-UHFFFAOYSA-N
XLogP2.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 3,8-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 101398505
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 2-hydroxybenzoate;urea
CID 174888687
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxyazulene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-hydroxyazulene-1,3-dicarboxylate (CID 10682741) is dimethyl 4-hydroxyazulene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-hydroxyazulene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-hydroxyazulene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2c(O)ccccc1-2.
What is the InChIKey of dimethyl 4-hydroxyazulene-1,3-dicarboxylate?
The InChIKey is DBBMHAWXVJOPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-18-13(16)9-7-10(14(17)19-2)12-8(9)5-3-4-6-11(12)15/h3-7,15H,1-2H3.
What are the key properties of dimethyl 4-hydroxyazulene-1,3-dicarboxylate?
dimethyl 4-hydroxyazulene-1,3-dicarboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxyazulene-1,3-dicarboxylate is sourced from PubChem (CID 10682741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).