2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane

C19H20Cl2O3 — CID 163950191

IUPAC2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
SMILESCOc1ccc(C(C)(C)c2ccc(OCC3CO3)c(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2O3/c1-19(2,12-4-6-17(22-3)15(20)8-12)13-5-7-18(16(21)9-13)24-11-14-10-23-14/h4-9,14H,10-11H2,1-3H3
InChIKeyRYQLQUWRSQYHFB-UHFFFAOYSA-N
MW367.27 g/mol
LogP5.11
Rot. Bonds6

About 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane

2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 163950191) has the molecular formula C19H20Cl2O3 and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
PubChem CID163950191
Molecular FormulaC19H20Cl2O3
Molecular Weight367.27 g/mol
Exact Mass366.08
IUPAC Name2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
SMILESCOc1ccc(C(C)(C)c2ccc(OCC3CO3)c(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2O3/c1-19(2,12-4-6-17(22-3)15(20)8-12)13-5-7-18(16(21)9-13)24-11-14-10-23-14/h4-9,14H,10-11H2,1-3H3
InChIKeyRYQLQUWRSQYHFB-UHFFFAOYSA-N
XLogP5.11
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane 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

2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]methyl]oxirane
CID 142418463
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
(4-chlorophenyl)-[5-[2-[3-[(4-chlorophenyl)diazenyl]-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2-(oxiran-2-ylmethoxy)phenyl]diazene
CID 101252366
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 90250195
1-[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134424160
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
CID 89105920
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
(2S)-2-[[(1S)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179821
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
2-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-3,3-dimethyloxetane
CID 58165318

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane (CID 163950191) is 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane is COc1ccc(C(C)(C)c2ccc(OCC3CO3)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is RYQLQUWRSQYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O3/c1-19(2,12-4-6-17(22-3)15(20)8-12)13-5-7-18(16(21)9-13)24-11-14-10-23-14/h4-9,14H,10-11H2,1-3H3.
What are the key properties of 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane?
2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 367.27 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 163950191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).