6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one

C18H13NO3 — CID 53358544

IUPAC6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one
SMILESCOc1ccc2[nH]c3c(=O)oc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)14-10-16(11-5-3-2-4-6-11)22-18(20)17(14)19-15/h2-10,19H,1H3
InChIKeyTWLUBCZFBPTOMW-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.95
Rot. Bonds2

About 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one

6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one (PubChem CID 53358544) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one.

Molecular Properties

Compound Name6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one
PubChem CID53358544
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one
SMILESCOc1ccc2[nH]c3c(=O)oc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)14-10-16(11-5-3-2-4-6-11)22-18(20)17(14)19-15/h2-10,19H,1H3
InChIKeyTWLUBCZFBPTOMW-UHFFFAOYSA-N
XLogP3.95
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one?
The IUPAC name of 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one (CID 53358544) is 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one.
What is the SMILES notation for 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one?
The canonical SMILES for 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one is COc1ccc2[nH]c3c(=O)oc(-c4ccccc4)cc3c2c1.
What is the InChIKey of 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one?
The InChIKey is TWLUBCZFBPTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)14-10-16(11-5-3-2-4-6-11)22-18(20)17(14)19-15/h2-10,19H,1H3.
What are the key properties of 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one?
6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one has a molecular weight of 291.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenyl-9H-pyrano[3,4-b]indol-1-one is sourced from PubChem (CID 53358544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).