1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene

C23H32O5 — CID 142385956

IUPAC1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
SMILESCCc1ccc(OCCOc2cccc(OCCOCCOC(C)C)c2)cc1
InChIInChI=1S/C23H32O5/c1-4-20-8-10-21(11-9-20)26-16-17-28-23-7-5-6-22(18-23)27-15-13-24-12-14-25-19(2)3/h5-11,18-19H,4,12-17H2,1-3H3
InChIKeyWRMVFWJJGIVSHB-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.53
Rot. Bonds14

About 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene

1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene (PubChem CID 142385956) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
PubChem CID142385956
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
SMILESCCc1ccc(OCCOc2cccc(OCCOCCOC(C)C)c2)cc1
InChIInChI=1S/C23H32O5/c1-4-20-8-10-21(11-9-20)26-16-17-28-23-7-5-6-22(18-23)27-15-13-24-12-14-25-19(2)3/h5-11,18-19H,4,12-17H2,1-3H3
InChIKeyWRMVFWJJGIVSHB-UHFFFAOYSA-N
XLogP4.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
CID 153498414
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid
CID 63073446

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene?
The IUPAC name of 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene (CID 142385956) is 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene?
The canonical SMILES for 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene is CCc1ccc(OCCOc2cccc(OCCOCCOC(C)C)c2)cc1.
What is the InChIKey of 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene?
The InChIKey is WRMVFWJJGIVSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5/c1-4-20-8-10-21(11-9-20)26-16-17-28-23-7-5-6-22(18-23)27-15-13-24-12-14-25-19(2)3/h5-11,18-19H,4,12-17H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene?
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene has a molecular weight of 388.50 g/mol, XLogP of 4.53, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene is sourced from PubChem (CID 142385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).