8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene

C16H14O — CID 175714628

IUPAC8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene
SMILESCc1ccccccc2ccc3c(c2c1)CO3
InChIInChI=1S/C16H14O/c1-12-6-4-2-3-5-7-13-8-9-16-15(11-17-16)14(13)10-12/h2-10H,11H2,1H3/b3-2-,4-2-,5-3+,6-4-,7-5+,12-6+,12-10+,13-7-,14-10+
InChIKeyTXUDKXKCIKNYPC-MBRRLHBWSA-N
MW222.29 g/mol
LogP4.17
Rot. Bonds

About 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene

8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene (PubChem CID 175714628) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene.

Molecular Properties

Compound Name8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene
PubChem CID175714628
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene
SMILESCc1ccccccc2ccc3c(c2c1)CO3
InChIInChI=1S/C16H14O/c1-12-6-4-2-3-5-7-13-8-9-16-15(11-17-16)14(13)10-12/h2-10H,11H2,1H3/b3-2-,4-2-,5-3+,6-4-,7-5+,12-6+,12-10+,13-7-,14-10+
InChIKeyTXUDKXKCIKNYPC-MBRRLHBWSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene 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 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene?
The IUPAC name of 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene (CID 175714628) is 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene.
What is the SMILES notation for 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene?
The canonical SMILES for 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene is Cc1ccccccc2ccc3c(c2c1)CO3.
What is the InChIKey of 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene?
The InChIKey is TXUDKXKCIKNYPC-MBRRLHBWSA-N. The full InChI is InChI=1S/C16H14O/c1-12-6-4-2-3-5-7-13-8-9-16-15(11-17-16)14(13)10-12/h2-10H,11H2,1H3/b3-2-,4-2-,5-3+,6-4-,7-5+,12-6+,12-10+,13-7-,14-10+.
What are the key properties of 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene?
8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene has a molecular weight of 222.29 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-13-oxatricyclo[8.6.0.011,14]hexadeca-1(10),2,4,6,8,11(14),15-heptaene is sourced from PubChem (CID 175714628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).