1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol

C17H21NO — CID 64693312

IUPAC1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1ccccc1Cn1ccc2c1CCCC2O
InChIInChI=1S/C17H21NO/c1-2-13-6-3-4-7-14(13)12-18-11-10-15-16(18)8-5-9-17(15)19/h3-4,6-7,10-11,17,19H,2,5,8-9,12H2,1H3
InChIKeyYGAOKFALNJYGHB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol

1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 64693312) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID64693312
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1ccccc1Cn1ccc2c1CCCC2O
InChIInChI=1S/C17H21NO/c1-2-13-6-3-4-7-14(13)12-18-11-10-15-16(18)8-5-9-17(15)19/h3-4,6-7,10-11,17,19H,2,5,8-9,12H2,1H3
InChIKeyYGAOKFALNJYGHB-UHFFFAOYSA-N
XLogP3.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol (CID 64693312) is 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol is CCc1ccccc1Cn1ccc2c1CCCC2O.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is YGAOKFALNJYGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-13-6-3-4-7-14(13)12-18-11-10-15-16(18)8-5-9-17(15)19/h3-4,6-7,10-11,17,19H,2,5,8-9,12H2,1H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol?
1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 255.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 64693312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).