7-methylanthracene-1,2,3,4,5-pentol

C15H12O5 — CID 91448077

IUPAC7-methylanthracene-1,2,3,4,5-pentol
SMILESCc1cc(O)c2cc3c(O)c(O)c(O)c(O)c3cc2c1
InChIInChI=1S/C15H12O5/c1-6-2-7-4-9-10(5-8(7)11(16)3-6)13(18)15(20)14(19)12(9)17/h2-5,16-20H,1H3
InChIKeyFZKRSSYAMZXERQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.83
Rot. Bonds

About 7-methylanthracene-1,2,3,4,5-pentol

7-methylanthracene-1,2,3,4,5-pentol (PubChem CID 91448077) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-methylanthracene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name7-methylanthracene-1,2,3,4,5-pentol
PubChem CID91448077
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name7-methylanthracene-1,2,3,4,5-pentol
SMILESCc1cc(O)c2cc3c(O)c(O)c(O)c(O)c3cc2c1
InChIInChI=1S/C15H12O5/c1-6-2-7-4-9-10(5-8(7)11(16)3-6)13(18)15(20)14(19)12(9)17/h2-5,16-20H,1H3
InChIKeyFZKRSSYAMZXERQ-UHFFFAOYSA-N
XLogP2.83
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-methylanthracene-1,2,3,4,5-pentol 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

7-methylanthracene-1,2,4,5,10-pentol
CID 71397460
6-methylnaphthalene-1,2,3-triol
CID 22497955
7-methoxy-3-methylnaphthalen-1-ol
CID 14832999
3-methylanthracene-1,2,4,8-tetrol
CID 91004047
1,4,8,11-tetramethylpentacen-6-ol
CID 141185126
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
2,6-dimethyl-1-benzofuran-4-ol
CID 19767041
5,7-dimethylisoquinolin-4-ol
CID 121420709
3,4,5,6,7,8-hexafluoroanthracene-1,2-diol
CID 22178333
2,6-diiodo-4-methylphenol
CID 4541084
6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
CID 59853197
8-amino-3-methylnaphthalen-1-ol
CID 18710111

Frequently Asked Questions

What is the IUPAC name of 7-methylanthracene-1,2,3,4,5-pentol?
The IUPAC name of 7-methylanthracene-1,2,3,4,5-pentol (CID 91448077) is 7-methylanthracene-1,2,3,4,5-pentol.
What is the SMILES notation for 7-methylanthracene-1,2,3,4,5-pentol?
The canonical SMILES for 7-methylanthracene-1,2,3,4,5-pentol is Cc1cc(O)c2cc3c(O)c(O)c(O)c(O)c3cc2c1.
What is the InChIKey of 7-methylanthracene-1,2,3,4,5-pentol?
The InChIKey is FZKRSSYAMZXERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-6-2-7-4-9-10(5-8(7)11(16)3-6)13(18)15(20)14(19)12(9)17/h2-5,16-20H,1H3.
What are the key properties of 7-methylanthracene-1,2,3,4,5-pentol?
7-methylanthracene-1,2,3,4,5-pentol has a molecular weight of 272.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylanthracene-1,2,3,4,5-pentol is sourced from PubChem (CID 91448077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).