4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol

C18H14N2O2 — CID 137276987

IUPAC4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
SMILESCOc1ccc(O)c(-c2ccc3c(n2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H14N2O2/c1-22-11-6-9-17(21)14(10-11)16-8-7-13-12-4-2-3-5-15(12)19-18(13)20-16/h2-10,21H,1H3,(H,19,20)
InChIKeyJAHJPBMANOHFOH-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.10
Rot. Bonds2

About 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol

4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol (PubChem CID 137276987) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
PubChem CID137276987
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
SMILESCOc1ccc(O)c(-c2ccc3c(n2)[nH]c2ccccc23)c1
InChIInChI=1S/C18H14N2O2/c1-22-11-6-9-17(21)14(10-11)16-8-7-13-12-4-2-3-5-15(12)19-18(13)20-16/h2-10,21H,1H3,(H,19,20)
InChIKeyJAHJPBMANOHFOH-UHFFFAOYSA-N
XLogP4.10
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol
CID 137276980
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
7-(2-hydroxy-4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 146048988
7-(2-hydroxy-5-methoxyphenyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 154925291
8-methoxy-6H-indolo[2,3-b]quinoline
CID 102364479
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
CID 159382088
2-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
CID 171776356
6-methoxy-2-(2-methyl-1H-indol-3-yl)quinoline
CID 18729714
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
CID 159753268
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
4-methoxy-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 1358031

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol?
The IUPAC name of 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol (CID 137276987) is 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol?
The canonical SMILES for 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol is COc1ccc(O)c(-c2ccc3c(n2)[nH]c2ccccc23)c1.
What is the InChIKey of 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol?
The InChIKey is JAHJPBMANOHFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-11-6-9-17(21)14(10-11)16-8-7-13-12-4-2-3-5-15(12)19-18(13)20-16/h2-10,21H,1H3,(H,19,20).
What are the key properties of 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol?
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol has a molecular weight of 290.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol is sourced from PubChem (CID 137276987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).