(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

C18H12N2O2 — CID 24800709

IUPAC(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(O)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H
InChIKeyDISBVDLVVUJENS-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.65
Rot. Bonds2

About (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 24800709) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID24800709
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESO=C(c1ccc(O)cc1)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H
InChIKeyDISBVDLVVUJENS-UHFFFAOYSA-N
XLogP3.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (CID 24800709) is (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is O=C(c1ccc(O)cc1)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is DISBVDLVVUJENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H.
What are the key properties of (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 24800709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).