(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol

C14H20ClNO3 — CID 146193835

IUPAC(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol
SMILESC[C@H](CO)Oc1ccc(C2COCCCN2)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-10(8-17)19-11-3-4-12(13(15)7-11)14-9-18-6-2-5-16-14/h3-4,7,10,14,16-17H,2,5-6,8-9H2,1H3/t10-,14?/m1/s1
InChIKeyBFGFEJZCHVDRAA-IAPIXIRKSA-N
MW285.77 g/mol
LogP2.15
Rot. Bonds4

About (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol

(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol (PubChem CID 146193835) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol
PubChem CID146193835
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol
SMILESC[C@H](CO)Oc1ccc(C2COCCCN2)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-10(8-17)19-11-3-4-12(13(15)7-11)14-9-18-6-2-5-16-14/h3-4,7,10,14,16-17H,2,5-6,8-9H2,1H3/t10-,14?/m1/s1
InChIKeyBFGFEJZCHVDRAA-IAPIXIRKSA-N
XLogP2.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-1,4-oxazepane
CID 131296603
N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
CID 175704077
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-chloro-2-morpholin-3-ylphenol
CID 82613253
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
2-(3-aminophenoxy)propan-1-ol
CID 130503390
3-(2,5-dichlorophenyl)morpholine
CID 126971180
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
2-chloro-3-methoxy-4-morpholin-3-ylphenol
CID 84802086
3-(4-chloro-2,5-dimethylphenyl)morpholine
CID 84790642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol?
The IUPAC name of (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol (CID 146193835) is (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol.
What is the SMILES notation for (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol?
The canonical SMILES for (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol is C[C@H](CO)Oc1ccc(C2COCCCN2)c(Cl)c1.
What is the InChIKey of (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol?
The InChIKey is BFGFEJZCHVDRAA-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(8-17)19-11-3-4-12(13(15)7-11)14-9-18-6-2-5-16-14/h3-4,7,10,14,16-17H,2,5-6,8-9H2,1H3/t10-,14?/m1/s1.
What are the key properties of (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol?
(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol is sourced from PubChem (CID 146193835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).