1,9-dimethylpyren-4-ol

C18H14O — CID 54708781

IUPAC1,9-dimethylpyren-4-ol
SMILESCc1cc2c(C)ccc3c(O)cc4cccc1c4c23
InChIInChI=1S/C18H14O/c1-10-6-7-14-16(19)9-12-4-3-5-13-11(2)8-15(10)18(14)17(12)13/h3-9,19H,1-2H3
InChIKeyZQRIJKOZKQOKTR-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.91
Rot. Bonds

About 1,9-dimethylpyren-4-ol

1,9-dimethylpyren-4-ol (PubChem CID 54708781) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1,9-dimethylpyren-4-ol.

Molecular Properties

Compound Name1,9-dimethylpyren-4-ol
PubChem CID54708781
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name1,9-dimethylpyren-4-ol
SMILESCc1cc2c(C)ccc3c(O)cc4cccc1c4c23
InChIInChI=1S/C18H14O/c1-10-6-7-14-16(19)9-12-4-3-5-13-11(2)8-15(10)18(14)17(12)13/h3-9,19H,1-2H3
InChIKeyZQRIJKOZKQOKTR-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,9-dimethylpyren-4-ol 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

pyrene-4,9-diol
CID 15270756
3,6,8-trimethylpyren-1-ol
CID 154487222
4,10-dimethylpyrene
CID 91667650
6-methylpyren-1-ol
CID 59779494
sodium 1,9-dimethyl-6H-pyren-6-id-4-ol
CID 54708780
ethane;naphthalen-1-ol;propane;pyren-4-ol
CID 158872339
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
5-methylpyren-1-amine
CID 23131220
2-methylperylene;3-methylperylene
CID 157412879
3,4,9-trimethylperylene
CID 59598979
9-bromo-1-methylpyrene
CID 144757480
1,6-dimethylpyrene-2,7-diol
CID 11129112

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethylpyren-4-ol?
The IUPAC name of 1,9-dimethylpyren-4-ol (CID 54708781) is 1,9-dimethylpyren-4-ol.
What is the SMILES notation for 1,9-dimethylpyren-4-ol?
The canonical SMILES for 1,9-dimethylpyren-4-ol is Cc1cc2c(C)ccc3c(O)cc4cccc1c4c23.
What is the InChIKey of 1,9-dimethylpyren-4-ol?
The InChIKey is ZQRIJKOZKQOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-10-6-7-14-16(19)9-12-4-3-5-13-11(2)8-15(10)18(14)17(12)13/h3-9,19H,1-2H3.
What are the key properties of 1,9-dimethylpyren-4-ol?
1,9-dimethylpyren-4-ol has a molecular weight of 246.31 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylpyren-4-ol is sourced from PubChem (CID 54708781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).