4-(2-ethoxyphenyl)-1-propylazepan-4-ol

C17H27NO2 — CID 65077808

IUPAC4-(2-ethoxyphenyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2ccccc2OCC)CC1
InChIInChI=1S/C17H27NO2/c1-3-12-18-13-7-10-17(19,11-14-18)15-8-5-6-9-16(15)20-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3
InChIKeyLYTLHFOWFKYXFQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds5

About 4-(2-ethoxyphenyl)-1-propylazepan-4-ol

4-(2-ethoxyphenyl)-1-propylazepan-4-ol (PubChem CID 65077808) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-1-propylazepan-4-ol
PubChem CID65077808
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(2-ethoxyphenyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2ccccc2OCC)CC1
InChIInChI=1S/C17H27NO2/c1-3-12-18-13-7-10-17(19,11-14-18)15-8-5-6-9-16(15)20-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3
InChIKeyLYTLHFOWFKYXFQ-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-1-propylazepan-4-ol?
The IUPAC name of 4-(2-ethoxyphenyl)-1-propylazepan-4-ol (CID 65077808) is 4-(2-ethoxyphenyl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(2-ethoxyphenyl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(2-ethoxyphenyl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2ccccc2OCC)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-1-propylazepan-4-ol?
The InChIKey is LYTLHFOWFKYXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-12-18-13-7-10-17(19,11-14-18)15-8-5-6-9-16(15)20-4-2/h5-6,8-9,19H,3-4,7,10-14H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenyl)-1-propylazepan-4-ol?
4-(2-ethoxyphenyl)-1-propylazepan-4-ol has a molecular weight of 277.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-1-propylazepan-4-ol is sourced from PubChem (CID 65077808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).