6-methylpyren-1-ol

C17H12O — CID 59779494

IUPAC6-methylpyren-1-ol
SMILESCc1ccc2ccc3c(O)ccc4ccc1c2c43
InChIInChI=1S/C17H12O/c1-10-2-3-11-5-8-14-15(18)9-6-12-4-7-13(10)16(11)17(12)14/h2-9,18H,1H3
InChIKeyFLMRBVAXQICRFE-UHFFFAOYSA-N
MW232.28 g/mol
LogP4.60
Rot. Bonds

About 6-methylpyren-1-ol

6-methylpyren-1-ol (PubChem CID 59779494) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-methylpyren-1-ol.

Molecular Properties

Compound Name6-methylpyren-1-ol
PubChem CID59779494
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name6-methylpyren-1-ol
SMILESCc1ccc2ccc3c(O)ccc4ccc1c2c43
InChIInChI=1S/C17H12O/c1-10-2-3-11-5-8-14-15(18)9-6-12-4-7-13(10)16(11)17(12)14/h2-9,18H,1H3
InChIKeyFLMRBVAXQICRFE-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,8-dimethylnaphthalene-1,7-diol
CID 121008162
9,12-dimethylbenzo[c]phenanthren-3-ol
CID 15488090
(6-methylpyren-1-yl)methanol
CID 91603096
benzene;bis(propan-2-ol);bis(pyren-1-ol)
CID 158038310
5-ethenyl-4-methylphenanthren-1-ol
CID 134322524
1,9-dimethylpyren-4-ol
CID 54708781
1-methyl-6-propan-2-ylpyrene
CID 144975111
1,4,5,8-tetramethylphenanthrene
CID 14619660
1-bromo-2,8-dimethylpyrene
CID 175605672
perylene-1,10-diol
CID 139257662
8-hydroxypyrene-1-sulfonic acid
CID 87461805
ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001

Frequently Asked Questions

What is the IUPAC name of 6-methylpyren-1-ol?
The IUPAC name of 6-methylpyren-1-ol (CID 59779494) is 6-methylpyren-1-ol.
What is the SMILES notation for 6-methylpyren-1-ol?
The canonical SMILES for 6-methylpyren-1-ol is Cc1ccc2ccc3c(O)ccc4ccc1c2c43.
What is the InChIKey of 6-methylpyren-1-ol?
The InChIKey is FLMRBVAXQICRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c1-10-2-3-11-5-8-14-15(18)9-6-12-4-7-13(10)16(11)17(12)14/h2-9,18H,1H3.
What are the key properties of 6-methylpyren-1-ol?
6-methylpyren-1-ol has a molecular weight of 232.28 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyren-1-ol is sourced from PubChem (CID 59779494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).