3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol

C18H17NO2 — CID 5318827

IUPAC3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
SMILESCc1cc2c([nH]c3ccc(O)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
InChIKeyVISKLVOLGCYFCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.52
Rot. Bonds

About 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol

3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol (PubChem CID 5318827) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
PubChem CID5318827
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
SMILESCc1cc2c([nH]c3ccc(O)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3
InChIKeyVISKLVOLGCYFCW-UHFFFAOYSA-N
XLogP4.52
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The IUPAC name of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol (CID 5318827) is 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol.
What is the SMILES notation for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The canonical SMILES for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol is Cc1cc2c([nH]c3ccc(O)cc32)c2c1OC(C)(C)C=C2.
What is the InChIKey of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The InChIKey is VISKLVOLGCYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3.
What are the key properties of 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol has a molecular weight of 279.34 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol is sourced from PubChem (CID 5318827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).