pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol

C18H12O — CID 88537838

IUPACpentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol
SMILESOC1=CC23C=C2C=C2C(=C3C=C1)C=CC1=CC=CC12
InChIInChI=1S/C18H12O/c19-13-5-7-17-15-6-4-11-2-1-3-14(11)16(15)8-12-9-18(12,17)10-13/h1-10,14,19H
InChIKeyRRUSGEMKCSZLLN-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.84
Rot. Bonds

About pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol

pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol (PubChem CID 88537838) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol.

Molecular Properties

Compound Namepentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol
PubChem CID88537838
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Namepentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol
SMILESOC1=CC23C=C2C=C2C(=C3C=C1)C=CC1=CC=CC12
InChIInChI=1S/C18H12O/c19-13-5-7-17-15-6-4-11-2-1-3-14(11)16(15)8-12-9-18(12,17)10-13/h1-10,14,19H
InChIKeyRRUSGEMKCSZLLN-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol?
The IUPAC name of pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol (CID 88537838) is pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol.
What is the SMILES notation for pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol?
The canonical SMILES for pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol is OC1=CC23C=C2C=C2C(=C3C=C1)C=CC1=CC=CC12.
What is the InChIKey of pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol?
The InChIKey is RRUSGEMKCSZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c19-13-5-7-17-15-6-4-11-2-1-3-14(11)16(15)8-12-9-18(12,17)10-13/h1-10,14,19H.
What are the key properties of pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol?
pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol has a molecular weight of 244.29 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1,3,5,8,10,13,15,17-octaen-5-ol is sourced from PubChem (CID 88537838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).