1-phenylmethoxy-9H-pyrido[3,4-b]indole

C18H14N2O — CID 44581819

IUPAC1-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESc1ccc(COc2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-17-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,20H,12H2
InChIKeyBHNZAPUCNHUWOR-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.30
Rot. Bonds3

About 1-phenylmethoxy-9H-pyrido[3,4-b]indole

1-phenylmethoxy-9H-pyrido[3,4-b]indole (PubChem CID 44581819) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-phenylmethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-phenylmethoxy-9H-pyrido[3,4-b]indole
PubChem CID44581819
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESc1ccc(COc2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-17-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,20H,12H2
InChIKeyBHNZAPUCNHUWOR-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-phenylmethoxy-9H-pyrido[3,4-b]indole (CID 44581819) is 1-phenylmethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-phenylmethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-phenylmethoxy-9H-pyrido[3,4-b]indole is c1ccc(COc2nccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-phenylmethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is BHNZAPUCNHUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-17-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,20H,12H2.
What are the key properties of 1-phenylmethoxy-9H-pyrido[3,4-b]indole?
1-phenylmethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 274.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 44581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).