methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate

C18H18O5 — CID 89464855

IUPACmethyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C18H18O5/c1-21-16-7-11-5-4-10-6-15(19)14(18(20)23-3)8-12(10)13(11)9-17(16)22-2/h6-9,19H,4-5H2,1-3H3
InChIKeyYBKJQGQIDZIKMP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.96
Rot. Bonds3

About methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate

methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate (PubChem CID 89464855) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
PubChem CID89464855
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Namemethyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C18H18O5/c1-21-16-7-11-5-4-10-6-15(19)14(18(20)23-3)8-12(10)13(11)9-17(16)22-2/h6-9,19H,4-5H2,1-3H3
InChIKeyYBKJQGQIDZIKMP-UHFFFAOYSA-N
XLogP2.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate 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

methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464599
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
methyl 2,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 13031019
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464199
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
methyl 2-hydroxy-4-methoxy-5-nitrobenzoate
CID 71669123
methyl 2-hydroxy-5-methoxy-4-nitrobenzoate
CID 165356318
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The IUPAC name of methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate (CID 89464855) is methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The canonical SMILES for methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate is COC(=O)c1cc2c(cc1O)CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
The InChIKey is YBKJQGQIDZIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-16-7-11-5-4-10-6-15(19)14(18(20)23-3)8-12(10)13(11)9-17(16)22-2/h6-9,19H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate?
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate is sourced from PubChem (CID 89464855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).