5-ethoxy-4-phenylmethoxy-1H-indole

C17H17NO2 — CID 18962543

IUPAC5-ethoxy-4-phenylmethoxy-1H-indole
SMILESCCOc1ccc2[nH]ccc2c1OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-19-16-9-8-15-14(10-11-18-15)17(16)20-12-13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3
InChIKeyMLWZIKOJBGAQDZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.15
Rot. Bonds5

About 5-ethoxy-4-phenylmethoxy-1H-indole

5-ethoxy-4-phenylmethoxy-1H-indole (PubChem CID 18962543) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-ethoxy-4-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name5-ethoxy-4-phenylmethoxy-1H-indole
PubChem CID18962543
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-ethoxy-4-phenylmethoxy-1H-indole
SMILESCCOc1ccc2[nH]ccc2c1OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-19-16-9-8-15-14(10-11-18-15)17(16)20-12-13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3
InChIKeyMLWZIKOJBGAQDZ-UHFFFAOYSA-N
XLogP4.15
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
CID 14811705
CID 159201070
CID 159201070
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 154972525
2,3-bis(phenylmethoxy)-1H-pyrrole
CID 67393754
3-phenylmethoxy-1H-indol-2-amine
CID 152577928
(2S)-2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987884

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-phenylmethoxy-1H-indole?
The IUPAC name of 5-ethoxy-4-phenylmethoxy-1H-indole (CID 18962543) is 5-ethoxy-4-phenylmethoxy-1H-indole.
What is the SMILES notation for 5-ethoxy-4-phenylmethoxy-1H-indole?
The canonical SMILES for 5-ethoxy-4-phenylmethoxy-1H-indole is CCOc1ccc2[nH]ccc2c1OCc1ccccc1.
What is the InChIKey of 5-ethoxy-4-phenylmethoxy-1H-indole?
The InChIKey is MLWZIKOJBGAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-19-16-9-8-15-14(10-11-18-15)17(16)20-12-13-6-4-3-5-7-13/h3-11,18H,2,12H2,1H3.
What are the key properties of 5-ethoxy-4-phenylmethoxy-1H-indole?
5-ethoxy-4-phenylmethoxy-1H-indole has a molecular weight of 267.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-phenylmethoxy-1H-indole is sourced from PubChem (CID 18962543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).