10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

C21H14O2 — CID 15254856

IUPAC10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESO=c1c(-c2ccccc2)c(O)c2ccccc2c2ccccc12
InChIInChI=1S/C21H14O2/c22-20-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(23)19(20)14-8-2-1-3-9-14/h1-13,22H
InChIKeyDSPOUZOVKMPXBN-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.73
Rot. Bonds1

About 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (PubChem CID 15254856) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
PubChem CID15254856
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESO=c1c(-c2ccccc2)c(O)c2ccccc2c2ccccc12
InChIInChI=1S/C21H14O2/c22-20-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(23)19(20)14-8-2-1-3-9-14/h1-13,22H
InChIKeyDSPOUZOVKMPXBN-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (CID 15254856) is 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is O=c1c(-c2ccccc2)c(O)c2ccccc2c2ccccc12.
What is the InChIKey of 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is DSPOUZOVKMPXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-20-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21(23)19(20)14-8-2-1-3-9-14/h1-13,22H.
What are the key properties of 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 298.34 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 15254856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).