5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

C17H18O2 — CID 58764478

IUPAC5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESCC1=C2c3ccc(O)c(C)c3CC23CCC(C3)C1=O
InChIInChI=1S/C17H18O2/c1-9-13-8-17-6-5-11(7-17)16(19)10(2)15(17)12(13)3-4-14(9)18/h3-4,11,18H,5-8H2,1-2H3
InChIKeyDQDUSHSFBPRZIO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.40
Rot. Bonds

About 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one

5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (PubChem CID 58764478) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.

Molecular Properties

Compound Name5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
PubChem CID58764478
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
SMILESCC1=C2c3ccc(O)c(C)c3CC23CCC(C3)C1=O
InChIInChI=1S/C17H18O2/c1-9-13-8-17-6-5-11(7-17)16(19)10(2)15(17)12(13)3-4-14(9)18/h3-4,11,18H,5-8H2,1-2H3
InChIKeyDQDUSHSFBPRZIO-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The IUPAC name of 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one (CID 58764478) is 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one.
What is the SMILES notation for 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The canonical SMILES for 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is CC1=C2c3ccc(O)c(C)c3CC23CCC(C3)C1=O.
What is the InChIKey of 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
The InChIKey is DQDUSHSFBPRZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-9-13-8-17-6-5-11(7-17)16(19)10(2)15(17)12(13)3-4-14(9)18/h3-4,11,18H,5-8H2,1-2H3.
What are the key properties of 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one?
5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one has a molecular weight of 254.33 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,10-dimethyltetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one is sourced from PubChem (CID 58764478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).