2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane

C23H30O4 — CID 139443809

IUPAC2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
SMILESCOCCCOc1ccc(C(C)(C)c2ccc(OCCC3CO3)cc2)cc1
InChIInChI=1S/C23H30O4/c1-23(2,18-5-9-20(10-6-18)25-15-4-14-24-3)19-7-11-21(12-8-19)26-16-13-22-17-27-22/h5-12,22H,4,13-17H2,1-3H3
InChIKeySTEXIYJPHATUMG-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.60
Rot. Bonds11

About 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane

2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane (PubChem CID 139443809) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
PubChem CID139443809
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
SMILESCOCCCOc1ccc(C(C)(C)c2ccc(OCCC3CO3)cc2)cc1
InChIInChI=1S/C23H30O4/c1-23(2,18-5-9-20(10-6-18)25-15-4-14-24-3)19-7-11-21(12-8-19)26-16-13-22-17-27-22/h5-12,22H,4,13-17H2,1-3H3
InChIKeySTEXIYJPHATUMG-UHFFFAOYSA-N
XLogP4.60
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.60
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-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
triethoxy-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]silane
CID 123674102
4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenol;1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 158947907
2-[3-(cyclopropylmethoxy)propyl]-2,4,6,8-tetramethyl-4,8-bis[3-(oxiran-2-ylmethoxy)propyl]-6-[3-[4-[2-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]propan-2-yl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 59428806
2,2-dimethoxy-1,2-bis[4-[2-(oxiran-2-yl)ethoxy]phenyl]ethanone
CID 145297690
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
2,2-dimethyl-4-[[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]methyl]-1,3-dioxolane
CID 89180979
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 161041775
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane?
The IUPAC name of 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane (CID 139443809) is 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane.
What is the SMILES notation for 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane?
The canonical SMILES for 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane is COCCCOc1ccc(C(C)(C)c2ccc(OCCC3CO3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane?
The InChIKey is STEXIYJPHATUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-23(2,18-5-9-20(10-6-18)25-15-4-14-24-3)19-7-11-21(12-8-19)26-16-13-22-17-27-22/h5-12,22H,4,13-17H2,1-3H3.
What are the key properties of 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane?
2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane has a molecular weight of 370.49 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane is sourced from PubChem (CID 139443809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).