11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol

C19H20O2 — CID 142144674

IUPAC11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
SMILESC=C1c2ccc(O)cc2CCc2cc(O)ccc2CC1C
InChIInChI=1S/C19H20O2/c1-12-9-14-5-6-17(20)10-15(14)3-4-16-11-18(21)7-8-19(16)13(12)2/h5-8,10-12,20-21H,2-4,9H2,1H3
InChIKeyVSLIXZMQBRVSMC-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.09
Rot. Bonds

About 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol

11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol (PubChem CID 142144674) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol.

Molecular Properties

Compound Name11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
PubChem CID142144674
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol
SMILESC=C1c2ccc(O)cc2CCc2cc(O)ccc2CC1C
InChIInChI=1S/C19H20O2/c1-12-9-14-5-6-17(20)10-15(14)3-4-16-11-18(21)7-8-19(16)13(12)2/h5-8,10-12,20-21H,2-4,9H2,1H3
InChIKeyVSLIXZMQBRVSMC-UHFFFAOYSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol?
The IUPAC name of 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol (CID 142144674) is 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol.
What is the SMILES notation for 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol?
The canonical SMILES for 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol is C=C1c2ccc(O)cc2CCc2cc(O)ccc2CC1C.
What is the InChIKey of 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol?
The InChIKey is VSLIXZMQBRVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-12-9-14-5-6-17(20)10-15(14)3-4-16-11-18(21)7-8-19(16)13(12)2/h5-8,10-12,20-21H,2-4,9H2,1H3.
What are the key properties of 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol?
11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol has a molecular weight of 280.37 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-10-methylidenetricyclo[11.4.0.04,9]heptadeca-1(13),4(9),5,7,14,16-hexaene-6,16-diol is sourced from PubChem (CID 142144674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).