3-(1-propan-2-ylazepan-4-yl)phenol

C15H23NO — CID 143519435

IUPAC3-(1-propan-2-ylazepan-4-yl)phenol
SMILESCC(C)N1CCCC(c2cccc(O)c2)CC1
InChIInChI=1S/C15H23NO/c1-12(2)16-9-4-6-13(8-10-16)14-5-3-7-15(17)11-14/h3,5,7,11-13,17H,4,6,8-10H2,1-2H3
InChIKeyMZESMRGKFYYISI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds2

About 3-(1-propan-2-ylazepan-4-yl)phenol

3-(1-propan-2-ylazepan-4-yl)phenol (PubChem CID 143519435) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(1-propan-2-ylazepan-4-yl)phenol.

Molecular Properties

Compound Name3-(1-propan-2-ylazepan-4-yl)phenol
PubChem CID143519435
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(1-propan-2-ylazepan-4-yl)phenol
SMILESCC(C)N1CCCC(c2cccc(O)c2)CC1
InChIInChI=1S/C15H23NO/c1-12(2)16-9-4-6-13(8-10-16)14-5-3-7-15(17)11-14/h3,5,7,11-13,17H,4,6,8-10H2,1-2H3
InChIKeyMZESMRGKFYYISI-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylazepan-4-yl)phenol?
The IUPAC name of 3-(1-propan-2-ylazepan-4-yl)phenol (CID 143519435) is 3-(1-propan-2-ylazepan-4-yl)phenol.
What is the SMILES notation for 3-(1-propan-2-ylazepan-4-yl)phenol?
The canonical SMILES for 3-(1-propan-2-ylazepan-4-yl)phenol is CC(C)N1CCCC(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(1-propan-2-ylazepan-4-yl)phenol?
The InChIKey is MZESMRGKFYYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)16-9-4-6-13(8-10-16)14-5-3-7-15(17)11-14/h3,5,7,11-13,17H,4,6,8-10H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylazepan-4-yl)phenol?
3-(1-propan-2-ylazepan-4-yl)phenol has a molecular weight of 233.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylazepan-4-yl)phenol is sourced from PubChem (CID 143519435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).