(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one

C19H24O3 — CID 162895840

IUPAC(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
SMILESCOc1cc2c(cc1C)C(=O)C[C@H]1C(=C2)[C@H](O)CCC1(C)C
InChIInChI=1S/C19H24O3/c1-11-7-13-12(9-18(11)22-4)8-14-15(10-17(13)21)19(2,3)6-5-16(14)20/h7-9,15-16,20H,5-6,10H2,1-4H3/t15-,16+/m0/s1
InChIKeyUBBRYIQJGCMDGN-JKSUJKDBSA-N
MW300.40 g/mol
LogP3.77
Rot. Bonds1

About (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one

(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one (PubChem CID 162895840) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one.

Molecular Properties

Compound Name(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
PubChem CID162895840
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
SMILESCOc1cc2c(cc1C)C(=O)C[C@H]1C(=C2)[C@H](O)CCC1(C)C
InChIInChI=1S/C19H24O3/c1-11-7-13-12(9-18(11)22-4)8-14-15(10-17(13)21)19(2,3)6-5-16(14)20/h7-9,15-16,20H,5-6,10H2,1-4H3/t15-,16+/m0/s1
InChIKeyUBBRYIQJGCMDGN-JKSUJKDBSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one?
The IUPAC name of (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one (CID 162895840) is (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one.
What is the SMILES notation for (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one?
The canonical SMILES for (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one is COc1cc2c(cc1C)C(=O)C[C@H]1C(=C2)[C@H](O)CCC1(C)C.
What is the InChIKey of (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one?
The InChIKey is UBBRYIQJGCMDGN-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H24O3/c1-11-7-13-12(9-18(11)22-4)8-14-15(10-17(13)21)19(2,3)6-5-16(14)20/h7-9,15-16,20H,5-6,10H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one?
(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one has a molecular weight of 300.40 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one is sourced from PubChem (CID 162895840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).