1,3,8-trimethoxy-6-methylanthracen-9-ol

C18H18O4 — CID 11033842

IUPAC1,3,8-trimethoxy-6-methylanthracen-9-ol
SMILESCOc1cc(OC)c2c(O)c3c(OC)cc(C)cc3cc2c1
InChIInChI=1S/C18H18O4/c1-10-5-11-7-12-8-13(20-2)9-15(22-4)17(12)18(19)16(11)14(6-10)21-3/h5-9,19H,1-4H3
InChIKeyALZTXUMPWBTBRJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.03
Rot. Bonds3

About 1,3,8-trimethoxy-6-methylanthracen-9-ol

1,3,8-trimethoxy-6-methylanthracen-9-ol (PubChem CID 11033842) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1,3,8-trimethoxy-6-methylanthracen-9-ol.

Molecular Properties

Compound Name1,3,8-trimethoxy-6-methylanthracen-9-ol
PubChem CID11033842
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1,3,8-trimethoxy-6-methylanthracen-9-ol
SMILESCOc1cc(OC)c2c(O)c3c(OC)cc(C)cc3cc2c1
InChIInChI=1S/C18H18O4/c1-10-5-11-7-12-8-13(20-2)9-15(22-4)17(12)18(19)16(11)14(6-10)21-3/h5-9,19H,1-4H3
InChIKeyALZTXUMPWBTBRJ-UHFFFAOYSA-N
XLogP4.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
5,7-dimethoxyphenanthrene-1,2,3-triol
CID 71597149
3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxy-2-methylisoquinolin-1-one
CID 24957481
5,7-dimethoxy-3-methylnaphthalen-1-ol
CID 15404113
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
CID 46844185
2-(2-hydroxy-4-methoxy-6-methylphenoxy)-6-methoxy-4-methylphenol
CID 44715357
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethoxy-6-methylanthracen-9-ol?
The IUPAC name of 1,3,8-trimethoxy-6-methylanthracen-9-ol (CID 11033842) is 1,3,8-trimethoxy-6-methylanthracen-9-ol.
What is the SMILES notation for 1,3,8-trimethoxy-6-methylanthracen-9-ol?
The canonical SMILES for 1,3,8-trimethoxy-6-methylanthracen-9-ol is COc1cc(OC)c2c(O)c3c(OC)cc(C)cc3cc2c1.
What is the InChIKey of 1,3,8-trimethoxy-6-methylanthracen-9-ol?
The InChIKey is ALZTXUMPWBTBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-10-5-11-7-12-8-13(20-2)9-15(22-4)17(12)18(19)16(11)14(6-10)21-3/h5-9,19H,1-4H3.
What are the key properties of 1,3,8-trimethoxy-6-methylanthracen-9-ol?
1,3,8-trimethoxy-6-methylanthracen-9-ol has a molecular weight of 298.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethoxy-6-methylanthracen-9-ol is sourced from PubChem (CID 11033842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).