1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate

C18H17NO3 — CID 174551857

IUPAC1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H17NO3/c1-13(22-12-20)17-10-19-18-9-15(7-8-16(17)18)21-11-14-5-3-2-4-6-14/h2-10,12-13,19H,11H2,1H3
InChIKeyIHFXKSCTDFUEDO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.98
Rot. Bonds6

About 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate

1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate (PubChem CID 174551857) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
PubChem CID174551857
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H17NO3/c1-13(22-12-20)17-10-19-18-9-15(7-8-16(17)18)21-11-14-5-3-2-4-6-14/h2-10,12-13,19H,11H2,1H3
InChIKeyIHFXKSCTDFUEDO-UHFFFAOYSA-N
XLogP3.98
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174389562
[3-(1-formyloxyethyl)-1H-indol-6-yl] benzoate
CID 174465412
1-(6-amino-1H-indol-3-yl)ethyl formate
CID 174775620
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
2-(4-methylsulfonylpiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42653902
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 29139650
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(2-nitroethenyl)-6-phenylmethoxy-1H-indole
CID 67443454
3-[(4-methylphenyl)sulfonylmethyl]-6-phenylmethoxy-1H-indole
CID 146164618
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
CID 90344559
2-[4-(4-acetylphenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42649805

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate?
The IUPAC name of 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate (CID 174551857) is 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate.
What is the SMILES notation for 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate?
The canonical SMILES for 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate is CC(OC=O)c1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate?
The InChIKey is IHFXKSCTDFUEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13(22-12-20)17-10-19-18-9-15(7-8-16(17)18)21-11-14-5-3-2-4-6-14/h2-10,12-13,19H,11H2,1H3.
What are the key properties of 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate?
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate has a molecular weight of 295.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate is sourced from PubChem (CID 174551857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).