[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol

C14H20ClNO2 — CID 114218552

IUPAC[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
SMILESCCC1CN(c2ccc(Cl)cc2CO)CCCO1
InChIInChI=1S/C14H20ClNO2/c1-2-13-9-16(6-3-7-18-13)14-5-4-12(15)8-11(14)10-17/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3
InChIKeyNBSKTOQUMFHFKT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.84
Rot. Bonds3

About [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol

[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol (PubChem CID 114218552) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
PubChem CID114218552
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
SMILESCCC1CN(c2ccc(Cl)cc2CO)CCCO1
InChIInChI=1S/C14H20ClNO2/c1-2-13-9-16(6-3-7-18-13)14-5-4-12(15)8-11(14)10-17/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3
InChIKeyNBSKTOQUMFHFKT-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218548
5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)benzoic acid
CID 114218452
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
N-[[5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]propan-1-amine
CID 114850831
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
[3-chloro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 81151147
2-[2-(2-ethylmorpholin-4-yl)-5-methylphenyl]ethanamine
CID 114055302
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940
4-bromo-2-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114218416

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol (CID 114218552) is [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol is CCC1CN(c2ccc(Cl)cc2CO)CCCO1.
What is the InChIKey of [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol?
The InChIKey is NBSKTOQUMFHFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-13-9-16(6-3-7-18-13)14-5-4-12(15)8-11(14)10-17/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol?
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol is sourced from PubChem (CID 114218552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).