7-methylanthracene-1,2,4,5,10-pentol

C15H12O5 — CID 71397460

IUPAC7-methylanthracene-1,2,4,5,10-pentol
SMILESCc1cc(O)c2c(O)c3c(O)cc(O)c(O)c3cc2c1
InChIInChI=1S/C15H12O5/c1-6-2-7-4-8-13(10(17)5-11(18)14(8)19)15(20)12(7)9(16)3-6/h2-5,16-20H,1H3
InChIKeyHCIAUMUTROGRJX-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.83
Rot. Bonds

About 7-methylanthracene-1,2,4,5,10-pentol

7-methylanthracene-1,2,4,5,10-pentol (PubChem CID 71397460) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-methylanthracene-1,2,4,5,10-pentol.

Molecular Properties

Compound Name7-methylanthracene-1,2,4,5,10-pentol
PubChem CID71397460
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name7-methylanthracene-1,2,4,5,10-pentol
SMILESCc1cc(O)c2c(O)c3c(O)cc(O)c(O)c3cc2c1
InChIInChI=1S/C15H12O5/c1-6-2-7-4-8-13(10(17)5-11(18)14(8)19)15(20)12(7)9(16)3-6/h2-5,16-20H,1H3
InChIKeyHCIAUMUTROGRJX-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'}

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Related Compounds

7-methylanthracene-1,2,3,4,5-pentol
CID 91448077
2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde
CID 123744942
5,7-dimethylisoquinolin-4-ol
CID 121420709
8-amino-3-methylnaphthalen-1-ol
CID 18710111
6-methylnaphthalene-1,2,3-triol
CID 22497955
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
7-methoxy-3-methylnaphthalen-1-ol
CID 14832999
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
1-[1-hydroxy-7-(8-hydroxy-1-methoxy-6-methylnaphthalen-2-yl)-8-methoxy-3-methylnaphthalen-2-yl]ethanone
CID 14235945
1-iodo-2,3,4,5-tetramethylbenzene;5-methylbenzene-1,2,3-triol
CID 123134198

Frequently Asked Questions

What is the IUPAC name of 7-methylanthracene-1,2,4,5,10-pentol?
The IUPAC name of 7-methylanthracene-1,2,4,5,10-pentol (CID 71397460) is 7-methylanthracene-1,2,4,5,10-pentol.
What is the SMILES notation for 7-methylanthracene-1,2,4,5,10-pentol?
The canonical SMILES for 7-methylanthracene-1,2,4,5,10-pentol is Cc1cc(O)c2c(O)c3c(O)cc(O)c(O)c3cc2c1.
What is the InChIKey of 7-methylanthracene-1,2,4,5,10-pentol?
The InChIKey is HCIAUMUTROGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-6-2-7-4-8-13(10(17)5-11(18)14(8)19)15(20)12(7)9(16)3-6/h2-5,16-20H,1H3.
What are the key properties of 7-methylanthracene-1,2,4,5,10-pentol?
7-methylanthracene-1,2,4,5,10-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-1,2,4,5,10-pentol is sourced from PubChem (CID 71397460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).