[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol

C19H16N2O2 — CID 141258481

IUPAC[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESCOc1ccc(-c2nc(CO)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-22)20-18)15-4-2-3-5-17(15)21-19/h2-10,21-22H,11H2,1H3
InChIKeyMWCRLDPGEWFERX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.88
Rot. Bonds3

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

[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 141258481) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
PubChem CID141258481
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
SMILESCOc1ccc(-c2nc(CO)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-22)20-18)15-4-2-3-5-17(15)21-19/h2-10,21-22H,11H2,1H3
InChIKeyMWCRLDPGEWFERX-UHFFFAOYSA-N
XLogP3.88
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol (CID 141258481) is [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is COc1ccc(-c2nc(CO)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is MWCRLDPGEWFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-14-8-6-12(7-9-14)18-19-16(10-13(11-22)20-18)15-4-2-3-5-17(15)21-19/h2-10,21-22H,11H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol?
[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 304.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 141258481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).