1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol

C17H18O2 — CID 153321595

IUPAC1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol
SMILESCC1C2CCC1(C)c1c2c(O)c2ccccc2c1O
InChIInChI=1S/C17H18O2/c1-9-10-7-8-17(9,2)14-13(10)15(18)11-5-3-4-6-12(11)16(14)19/h3-6,9-10,18-19H,7-8H2,1-2H3
InChIKeyVSGWUTZYPFMZSR-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.04
Rot. Bonds

About 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol

1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol (PubChem CID 153321595) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol.

Molecular Properties

Compound Name1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol
PubChem CID153321595
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol
SMILESCC1C2CCC1(C)c1c2c(O)c2ccccc2c1O
InChIInChI=1S/C17H18O2/c1-9-10-7-8-17(9,2)14-13(10)15(18)11-5-3-4-6-12(11)16(14)19/h3-6,9-10,18-19H,7-8H2,1-2H3
InChIKeyVSGWUTZYPFMZSR-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol 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

Menadiol
CID 10209
Equilenin
CID 444865
Estra-1,3,5(10)-trien-3-ol
CID 5888
beta-Dihydroequilenin
CID 3032407
Avarol
CID 72185
(17beta)-17-Methylestra-1,3,5(10)-triene-3,17-diol
CID 66413
Xibornol
CID 76967262
alpha-Dihydroequilenin
CID 223998
Phytonadiol
CID 5280585
17-Methyl-17-alpha-Dihydroequilenin
CID 9549180
Zonarol
CID 332671
2-Methylestradiol
CID 66425

Frequently Asked Questions

What is the IUPAC name of 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol?
The IUPAC name of 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol (CID 153321595) is 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol.
What is the SMILES notation for 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol?
The canonical SMILES for 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol is CC1C2CCC1(C)c1c2c(O)c2ccccc2c1O.
What is the InChIKey of 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol?
The InChIKey is VSGWUTZYPFMZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-9-10-7-8-17(9,2)14-13(10)15(18)11-5-3-4-6-12(11)16(14)19/h3-6,9-10,18-19H,7-8H2,1-2H3.
What are the key properties of 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol?
1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol has a molecular weight of 254.33 g/mol, XLogP of 4.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-dimethyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-3,10-diol is sourced from PubChem (CID 153321595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).