[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol

C13H19NO2 — CID 112631236

IUPAC[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
SMILESOCc1ccc(CN2CCCOCC2)cc1
InChIInChI=1S/C13H19NO2/c15-11-13-4-2-12(3-5-13)10-14-6-1-8-16-9-7-14/h2-5,15H,1,6-11H2
InChIKeyJKKYYKYTXHGKDP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.40
Rot. Bonds3

About [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol

[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol (PubChem CID 112631236) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
PubChem CID112631236
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
SMILESOCc1ccc(CN2CCCOCC2)cc1
InChIInChI=1S/C13H19NO2/c15-11-13-4-2-12(3-5-13)10-14-6-1-8-16-9-7-14/h2-5,15H,1,6-11H2
InChIKeyJKKYYKYTXHGKDP-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
(4-morpholin-4-ylphenyl)methanol
CID 2776456

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol?
The IUPAC name of [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol (CID 112631236) is [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol?
The canonical SMILES for [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol is OCc1ccc(CN2CCCOCC2)cc1.
What is the InChIKey of [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol?
The InChIKey is JKKYYKYTXHGKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-11-13-4-2-12(3-5-13)10-14-6-1-8-16-9-7-14/h2-5,15H,1,6-11H2.
What are the key properties of [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol?
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol is sourced from PubChem (CID 112631236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).