1-(3-hydroxyphenyl)azepan-4-ol

C12H17NO2 — CID 115025213

IUPAC1-(3-hydroxyphenyl)azepan-4-ol
SMILESOc1cccc(N2CCCC(O)CC2)c1
InChIInChI=1S/C12H17NO2/c14-11-5-2-7-13(8-6-11)10-3-1-4-12(15)9-10/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyPTTGDSXVNTZRHU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds1

About 1-(3-hydroxyphenyl)azepan-4-ol

1-(3-hydroxyphenyl)azepan-4-ol (PubChem CID 115025213) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)azepan-4-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)azepan-4-ol
PubChem CID115025213
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(3-hydroxyphenyl)azepan-4-ol
SMILESOc1cccc(N2CCCC(O)CC2)c1
InChIInChI=1S/C12H17NO2/c14-11-5-2-7-13(8-6-11)10-3-1-4-12(15)9-10/h1,3-4,9,11,14-15H,2,5-8H2
InChIKeyPTTGDSXVNTZRHU-UHFFFAOYSA-N
XLogP1.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
3-[5-(2-methylpropyl)azonan-1-yl]phenol
CID 123840443
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
1-(4-amino-3-methylphenyl)azepan-4-ol
CID 23103827
3-(3-hydroxyphenyl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 72688449
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
1-phenylpyrrolidin-3-ol
CID 11171152
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)azepan-4-ol?
The IUPAC name of 1-(3-hydroxyphenyl)azepan-4-ol (CID 115025213) is 1-(3-hydroxyphenyl)azepan-4-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)azepan-4-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)azepan-4-ol is Oc1cccc(N2CCCC(O)CC2)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)azepan-4-ol?
The InChIKey is PTTGDSXVNTZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-5-2-7-13(8-6-11)10-3-1-4-12(15)9-10/h1,3-4,9,11,14-15H,2,5-8H2.
What are the key properties of 1-(3-hydroxyphenyl)azepan-4-ol?
1-(3-hydroxyphenyl)azepan-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)azepan-4-ol is sourced from PubChem (CID 115025213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).