2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane

C18H20O4 — CID 20764816

IUPAC2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane
SMILESCOCCOc1ccc(Cc2ccc(OC3CO3)cc2)cc1
InChIInChI=1S/C18H20O4/c1-19-10-11-20-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)22-18-13-21-18/h2-9,18H,10-13H2,1H3
InChIKeyMYTCAOZYLZPFQH-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane

2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane (PubChem CID 20764816) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane.

Molecular Properties

Compound Name2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane
PubChem CID20764816
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane
SMILESCOCCOc1ccc(Cc2ccc(OC3CO3)cc2)cc1
InChIInChI=1S/C18H20O4/c1-19-10-11-20-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)22-18-13-21-18/h2-9,18H,10-13H2,1H3
InChIKeyMYTCAOZYLZPFQH-UHFFFAOYSA-N
XLogP3.04
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
CID 151551370
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
3-[4-[[4-[2-(2-methoxyethoxymethoxy)ethoxy]phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160724682
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
1,3-dibenzylbenzene;1,4-dibenzylbenzene;bis(2-ethoxyoxirane);bis(2-(methoxymethyl)oxirane);bis(2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 161038979
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane?
The IUPAC name of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane (CID 20764816) is 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane.
What is the SMILES notation for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane?
The canonical SMILES for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane is COCCOc1ccc(Cc2ccc(OC3CO3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane?
The InChIKey is MYTCAOZYLZPFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-10-11-20-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)22-18-13-21-18/h2-9,18H,10-13H2,1H3.
What are the key properties of 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane?
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane has a molecular weight of 300.35 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane is sourced from PubChem (CID 20764816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).