dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate

C18H16O6 — CID 138453798

IUPACdimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C(O)C(O)c1cc(C(=O)OC)ccc1-2
InChIInChI=1S/C18H16O6/c1-23-17(21)9-3-5-11-12-6-4-10(18(22)24-2)8-14(12)16(20)15(19)13(11)7-9/h3-8,15-16,19-20H,1-2H3
InChIKeyAEKGEUHXIWZDGZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.01
Rot. Bonds2

About dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate

dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate (PubChem CID 138453798) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
PubChem CID138453798
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Namedimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C(O)C(O)c1cc(C(=O)OC)ccc1-2
InChIInChI=1S/C18H16O6/c1-23-17(21)9-3-5-11-12-6-4-10(18(22)24-2)8-14(12)16(20)15(19)13(11)7-9/h3-8,15-16,19-20H,1-2H3
InChIKeyAEKGEUHXIWZDGZ-UHFFFAOYSA-N
XLogP2.01
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 3-iodo-4-(2-iodo-4-methoxycarbonylphenyl)benzoate
CID 11375867
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 9-(2-aminoethyl)-7-ethyl-9H-fluorene-2-carboxylate
CID 82579164
methyl (3R)-3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
CID 155905394
methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
CID 71740035
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl (4R)-4-hydroxy-3,4-dihydro-2H-thiochromene-7-carboxylate
CID 59089465
2,7-bis(methoxycarbonyl)-9H-xanthene-9-carboxylic acid
CID 23283091
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate?
The IUPAC name of dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate (CID 138453798) is dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate.
What is the SMILES notation for dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate?
The canonical SMILES for dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate is COC(=O)c1ccc2c(c1)C(O)C(O)c1cc(C(=O)OC)ccc1-2.
What is the InChIKey of dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate?
The InChIKey is AEKGEUHXIWZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-23-17(21)9-3-5-11-12-6-4-10(18(22)24-2)8-14(12)16(20)15(19)13(11)7-9/h3-8,15-16,19-20H,1-2H3.
What are the key properties of dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate?
dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate is sourced from PubChem (CID 138453798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).