1-methyl-3,4-dihydro-2H-chrysen-1-ol

C19H18O — CID 174353306

IUPAC1-methyl-3,4-dihydro-2H-chrysen-1-ol
SMILESCC1(O)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C19H18O/c1-19(20)12-4-7-17-16-9-8-13-5-2-3-6-14(13)15(16)10-11-18(17)19/h2-3,5-6,8-11,20H,4,7,12H2,1H3
InChIKeyQZFPBRTUSGINCZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.54
Rot. Bonds

About 1-methyl-3,4-dihydro-2H-chrysen-1-ol

1-methyl-3,4-dihydro-2H-chrysen-1-ol (PubChem CID 174353306) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-chrysen-1-ol.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-chrysen-1-ol
PubChem CID174353306
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name1-methyl-3,4-dihydro-2H-chrysen-1-ol
SMILESCC1(O)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C19H18O/c1-19(20)12-4-7-17-16-9-8-13-5-2-3-6-14(13)15(16)10-11-18(17)19/h2-3,5-6,8-11,20H,4,7,12H2,1H3
InChIKeyQZFPBRTUSGINCZ-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3,4-dihydro-2H-chrysen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-chrysen-1-ol?
The IUPAC name of 1-methyl-3,4-dihydro-2H-chrysen-1-ol (CID 174353306) is 1-methyl-3,4-dihydro-2H-chrysen-1-ol.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-chrysen-1-ol?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-chrysen-1-ol is CC1(O)CCCc2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-chrysen-1-ol?
The InChIKey is QZFPBRTUSGINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-19(20)12-4-7-17-16-9-8-13-5-2-3-6-14(13)15(16)10-11-18(17)19/h2-3,5-6,8-11,20H,4,7,12H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-chrysen-1-ol?
1-methyl-3,4-dihydro-2H-chrysen-1-ol has a molecular weight of 262.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-chrysen-1-ol is sourced from PubChem (CID 174353306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).