1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol

C17H21NO — CID 161493495

IUPAC1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol
SMILESCCC1CN(C(C)C)c2cc(O)c3ccccc3c21
InChIInChI=1S/C17H21NO/c1-4-12-10-18(11(2)3)15-9-16(19)13-7-5-6-8-14(13)17(12)15/h5-9,11-12,19H,4,10H2,1-3H3
InChIKeyYVYGEOLPUWAVSJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.27
Rot. Bonds2

About 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol

1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol (PubChem CID 161493495) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol
PubChem CID161493495
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol
SMILESCCC1CN(C(C)C)c2cc(O)c3ccccc3c21
InChIInChI=1S/C17H21NO/c1-4-12-10-18(11(2)3)15-9-16(19)13-7-5-6-8-14(13)17(12)15/h5-9,11-12,19H,4,10H2,1-3H3
InChIKeyYVYGEOLPUWAVSJ-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol?
The IUPAC name of 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol (CID 161493495) is 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol?
The canonical SMILES for 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol is CCC1CN(C(C)C)c2cc(O)c3ccccc3c21.
What is the InChIKey of 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol?
The InChIKey is YVYGEOLPUWAVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-12-10-18(11(2)3)15-9-16(19)13-7-5-6-8-14(13)17(12)15/h5-9,11-12,19H,4,10H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol?
1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol has a molecular weight of 255.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-1,2-dihydrobenzo[e]indol-5-ol is sourced from PubChem (CID 161493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).