1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene

C21H28O4 — CID 2282958

IUPAC1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCC[C@@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O4/c1-4-17(2)18-5-7-20(8-6-18)24-15-13-23-14-16-25-21-11-9-19(22-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3/t17-/m1/s1
InChIKeyOGCMXNUPWYATPW-QGZVFWFLSA-N
MW344.45 g/mol
LogP4.68
Rot. Bonds11

About 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene

1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene (PubChem CID 2282958) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
PubChem CID2282958
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
SMILESCC[C@@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28O4/c1-4-17(2)18-5-7-20(8-6-18)24-15-13-23-14-16-25-21-11-9-19(22-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3/t17-/m1/s1
InChIKeyOGCMXNUPWYATPW-QGZVFWFLSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
CID 71073417
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
CID 2298384
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934641
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7412459

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene (CID 2282958) is 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene is CC[C@@H](C)c1ccc(OCCOCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is OGCMXNUPWYATPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28O4/c1-4-17(2)18-5-7-20(8-6-18)24-15-13-23-14-16-25-21-11-9-19(22-3)10-12-21/h5-12,17H,4,13-16H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene?
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 344.45 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2282958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).