tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol

C15H12O — CID 21410139

IUPACtricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol
SMILESOc1ccc2c3c(ccccccc2c1)C3
InChIInChI=1S/C15H12O/c16-13-7-8-14-11(9-13)5-3-1-2-4-6-12-10-15(12)14/h1-9,16H,10H2/b2-1-,3-1+,4-2-,5-3+,6-4-,11-5-,12-6-,15-14-
InChIKeyGYVUBSMQLNTAQO-QHAPFDLRSA-N
MW208.26 g/mol
LogP3.57
Rot. Bonds

About tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol

tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol (PubChem CID 21410139) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol.

Molecular Properties

Compound Nametricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol
PubChem CID21410139
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Nametricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol
SMILESOc1ccc2c3c(ccccccc2c1)C3
InChIInChI=1S/C15H12O/c16-13-7-8-14-11(9-13)5-3-1-2-4-6-12-10-15(12)14/h1-9,16H,10H2/b2-1-,3-1+,4-2-,5-3+,6-4-,11-5-,12-6-,15-14-
InChIKeyGYVUBSMQLNTAQO-QHAPFDLRSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-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

naphthalen-2-ol
CID 71750931
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
5-(methylamino)naphthalen-2-ol
CID 74890550
CID 69280188
CID 69280188
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
5-(1-aminocyclobutyl)naphthalen-2-ol
CID 105466837
5-phenylmethoxynaphthalen-2-ol
CID 71348952
ethane;naphthalen-2-ol
CID 91107047
(6-hydroxy-1-methylnaphthalen-2-yl) benzoate
CID 174705353
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
11H-benzo[b]fluoren-7-ol
CID 123521714
1-phenylisoquinolin-6-ol
CID 136504115

Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol?
The IUPAC name of tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol (CID 21410139) is tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol.
What is the SMILES notation for tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol?
The canonical SMILES for tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol is Oc1ccc2c3c(ccccccc2c1)C3.
What is the InChIKey of tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol?
The InChIKey is GYVUBSMQLNTAQO-QHAPFDLRSA-N. The full InChI is InChI=1S/C15H12O/c16-13-7-8-14-11(9-13)5-3-1-2-4-6-12-10-15(12)14/h1-9,16H,10H2/b2-1-,3-1+,4-2-,5-3+,6-4-,11-5-,12-6-,15-14-.
What are the key properties of tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol?
tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol has a molecular weight of 208.26 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol is sourced from PubChem (CID 21410139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).