(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol

C19H21NO2 — CID 70164757

IUPAC(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol
SMILESCCc1[nH]c2ccc(OC)c(Cc3ccccc3)c2c1CO
InChIInChI=1S/C19H21NO2/c1-3-16-15(12-21)19-14(11-13-7-5-4-6-8-13)18(22-2)10-9-17(19)20-16/h4-10,20-21H,3,11-12H2,1-2H3
InChIKeyVQHWYSGTRRMRAJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.82
Rot. Bonds5

About (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol

(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol (PubChem CID 70164757) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol
PubChem CID70164757
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol
SMILESCCc1[nH]c2ccc(OC)c(Cc3ccccc3)c2c1CO
InChIInChI=1S/C19H21NO2/c1-3-16-15(12-21)19-14(11-13-7-5-4-6-8-13)18(22-2)10-9-17(19)20-16/h4-10,20-21H,3,11-12H2,1-2H3
InChIKeyVQHWYSGTRRMRAJ-UHFFFAOYSA-N
XLogP3.82
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 417052
8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
CID 97487
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CID 12835
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
1H-2-(2-Methoxyphenyl)indole
CID 901191
5-Methoxy-2-phenylindole
CID 292850
Koenoline
CID 375152
2-(4-Hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindole
CID 128480
5-methoxy-2-phenyl-N,N-dimethyltryptamine
CID 6918515
3-Methoxy-9H-carbazole
CID 519621
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 9881478
2-Ethyl-5-methoxy-N,N-dimethyltryptamine
CID 6918513

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol?
The IUPAC name of (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol (CID 70164757) is (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol.
What is the SMILES notation for (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol?
The canonical SMILES for (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol is CCc1[nH]c2ccc(OC)c(Cc3ccccc3)c2c1CO.
What is the InChIKey of (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol?
The InChIKey is VQHWYSGTRRMRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-16-15(12-21)19-14(11-13-7-5-4-6-8-13)18(22-2)10-9-17(19)20-16/h4-10,20-21H,3,11-12H2,1-2H3.
What are the key properties of (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol?
(4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol has a molecular weight of 295.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-ethyl-5-methoxy-1H-indol-3-yl)methanol is sourced from PubChem (CID 70164757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).