[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol

C24H23ClN2O3 — CID 118971050

IUPAC[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol
SMILESCCOc1ccc2c(-c3ccc(OC)nc3)c(CO)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C24H23ClN2O3/c1-3-30-18-9-10-19-21(12-18)27(14-17-6-4-5-7-20(17)25)22(15-28)24(19)16-8-11-23(29-2)26-13-16/h4-13,28H,3,14-15H2,1-2H3
InChIKeyFGKJAFNLSUMPLE-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.30
Rot. Bonds7

About [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol (PubChem CID 118971050) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol
PubChem CID118971050
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol
SMILESCCOc1ccc2c(-c3ccc(OC)nc3)c(CO)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C24H23ClN2O3/c1-3-30-18-9-10-19-21(12-18)27(14-17-6-4-5-7-20(17)25)22(15-28)24(19)16-8-11-23(29-2)26-13-16/h4-13,28H,3,14-15H2,1-2H3
InChIKeyFGKJAFNLSUMPLE-UHFFFAOYSA-N
XLogP5.30
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol (CID 118971050) is [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol is CCOc1ccc2c(-c3ccc(OC)nc3)c(CO)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol?
The InChIKey is FGKJAFNLSUMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-3-30-18-9-10-19-21(12-18)27(14-17-6-4-5-7-20(17)25)22(15-28)24(19)16-8-11-23(29-2)26-13-16/h4-13,28H,3,14-15H2,1-2H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol has a molecular weight of 422.91 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-6-ethoxy-3-(6-methoxy-3-pyridinyl)indol-2-yl]methanol is sourced from PubChem (CID 118971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).