4-(4,6-dimethoxy-1H-indol-3-yl)phenol

C16H15NO3 — CID 11391542

IUPAC4-(4,6-dimethoxy-1H-indol-3-yl)phenol
SMILESCOc1cc(OC)c2c(-c3ccc(O)cc3)c[nH]c2c1
InChIInChI=1S/C16H15NO3/c1-19-12-7-14-16(15(8-12)20-2)13(9-17-14)10-3-5-11(18)6-4-10/h3-9,17-18H,1-2H3
InChIKeyLSFUDTLFDKCQCC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.56
Rot. Bonds3

About 4-(4,6-dimethoxy-1H-indol-3-yl)phenol

4-(4,6-dimethoxy-1H-indol-3-yl)phenol (PubChem CID 11391542) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1H-indol-3-yl)phenol.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1H-indol-3-yl)phenol
PubChem CID11391542
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-(4,6-dimethoxy-1H-indol-3-yl)phenol
SMILESCOc1cc(OC)c2c(-c3ccc(O)cc3)c[nH]c2c1
InChIInChI=1S/C16H15NO3/c1-19-12-7-14-16(15(8-12)20-2)13(9-17-14)10-3-5-11(18)6-4-10/h3-9,17-18H,1-2H3
InChIKeyLSFUDTLFDKCQCC-UHFFFAOYSA-N
XLogP3.56
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1H-indol-3-yl)phenol?
The IUPAC name of 4-(4,6-dimethoxy-1H-indol-3-yl)phenol (CID 11391542) is 4-(4,6-dimethoxy-1H-indol-3-yl)phenol.
What is the SMILES notation for 4-(4,6-dimethoxy-1H-indol-3-yl)phenol?
The canonical SMILES for 4-(4,6-dimethoxy-1H-indol-3-yl)phenol is COc1cc(OC)c2c(-c3ccc(O)cc3)c[nH]c2c1.
What is the InChIKey of 4-(4,6-dimethoxy-1H-indol-3-yl)phenol?
The InChIKey is LSFUDTLFDKCQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-12-7-14-16(15(8-12)20-2)13(9-17-14)10-3-5-11(18)6-4-10/h3-9,17-18H,1-2H3.
What are the key properties of 4-(4,6-dimethoxy-1H-indol-3-yl)phenol?
4-(4,6-dimethoxy-1H-indol-3-yl)phenol has a molecular weight of 269.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1H-indol-3-yl)phenol is sourced from PubChem (CID 11391542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).