2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane

C18H19ClO3 — CID 59790958

IUPAC2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
SMILESClc1ccc(CCc2ccc(OCOCC3CO3)cc2)cc1
InChIInChI=1S/C18H19ClO3/c19-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22-13-20-11-18-12-21-18/h3-10,18H,1-2,11-13H2
InChIKeyKNWWEMOZTUGYPD-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.88
Rot. Bonds8

About 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane

2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane (PubChem CID 59790958) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
PubChem CID59790958
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane
SMILESClc1ccc(CCc2ccc(OCOCC3CO3)cc2)cc1
InChIInChI=1S/C18H19ClO3/c19-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22-13-20-11-18-12-21-18/h3-10,18H,1-2,11-13H2
InChIKeyKNWWEMOZTUGYPD-UHFFFAOYSA-N
XLogP3.88
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane with MolForge

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Related Compounds

4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethyl]benzonitrile
CID 59791049
2-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]methoxymethyl]oxirane
CID 72562916
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-[2,3-difluoro-4-[4-(oxiran-2-ylmethoxymethoxy)phenyl]phenyl]phenoxy]methoxymethyl]oxirane
CID 59790615
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl-tritritiosilane
CID 140880612
2-[[4-[3-fluoro-4-[[4-(oxiran-2-ylmethoxymethoxy)phenoxy]methoxy]phenyl]phenoxy]methoxymethyl]oxirane
CID 59790799
2-[[4-(4-chlorophenyl)cyclohexyl]oxymethoxymethyl]oxirane
CID 59791027
CID 59015330
CID 59015330
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane?
The IUPAC name of 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane (CID 59790958) is 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane?
The canonical SMILES for 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane is Clc1ccc(CCc2ccc(OCOCC3CO3)cc2)cc1.
What is the InChIKey of 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane?
The InChIKey is KNWWEMOZTUGYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c19-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22-13-20-11-18-12-21-18/h3-10,18H,1-2,11-13H2.
What are the key properties of 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane?
2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane has a molecular weight of 318.80 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-chlorophenyl)ethyl]phenoxy]methoxymethyl]oxirane is sourced from PubChem (CID 59790958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).