methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate

C23H22O5 — CID 11025259

IUPACmethyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1O)-c1c(c(OC)c3ccccc3c1OC)CC2
InChIInChI=1S/C23H22O5/c1-12-11-13-9-10-16-19(18(13)20(24)17(12)23(25)28-4)22(27-3)15-8-6-5-7-14(15)21(16)26-2/h5-8,11,24H,9-10H2,1-4H3
InChIKeyQOSXTTCLYMMSDT-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.42
Rot. Bonds3

About methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate

methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate (PubChem CID 11025259) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate
PubChem CID11025259
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Namemethyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1O)-c1c(c(OC)c3ccccc3c1OC)CC2
InChIInChI=1S/C23H22O5/c1-12-11-13-9-10-16-19(18(13)20(24)17(12)23(25)28-4)22(27-3)15-8-6-5-7-14(15)21(16)26-2/h5-8,11,24H,9-10H2,1-4H3
InChIKeyQOSXTTCLYMMSDT-UHFFFAOYSA-N
XLogP4.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate with MolForge

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Related Compounds

methyl 7-ethoxy-1,9-dihydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
CID 10838702
methyl (8E)-1-methoxy-8-(methoxymethylidene)-3-methyl-7-methylidene-5,6-dihydronaphthalene-2-carboxylate
CID 15814275
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
CID 11005618
methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13126292
methyl 6,20-di(anthracen-9-yl)-13-phenyl-5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylate
CID 14680115
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
CID 173058524
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate
CID 162402314
5,10-dimethoxy-1-methyl-3,4-dihydrobenzo[g]isoquinoline
CID 14092061
methyl 3-bromo-2,4-dihydroxy-6-methylbenzoate
CID 10858235

Frequently Asked Questions

What is the IUPAC name of methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate?
The IUPAC name of methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate (CID 11025259) is methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate.
What is the SMILES notation for methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate?
The canonical SMILES for methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate is COC(=O)c1c(C)cc2c(c1O)-c1c(c(OC)c3ccccc3c1OC)CC2.
What is the InChIKey of methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate?
The InChIKey is QOSXTTCLYMMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-12-11-13-9-10-16-19(18(13)20(24)17(12)23(25)28-4)22(27-3)15-8-6-5-7-14(15)21(16)26-2/h5-8,11,24H,9-10H2,1-4H3.
What are the key properties of methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate?
methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate has a molecular weight of 378.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate is sourced from PubChem (CID 11025259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).