1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene

C23H32O2 — CID 70880864

IUPAC1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
SMILESCCCCOc1ccc(C(C)(C)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C23H32O2/c1-6-8-17-24-21-13-9-19(10-14-21)23(4,5)20-11-15-22(16-12-20)25-18(3)7-2/h9-16,18H,6-8,17H2,1-5H3
InChIKeyQJIXRSFBNKKKGW-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.37
Rot. Bonds9

About 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene

1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene (PubChem CID 70880864) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
PubChem CID70880864
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
SMILESCCCCOc1ccc(C(C)(C)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C23H32O2/c1-6-8-17-24-21-13-9-19(10-14-21)23(4,5)20-11-15-22(16-12-20)25-18(3)7-2/h9-16,18H,6-8,17H2,1-5H3
InChIKeyQJIXRSFBNKKKGW-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yloxy-4-decoxybenzene
CID 14833183
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CID 90865394
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CID 54830327
1-[4-[2-[4-(3-butoxypropoxy)phenyl]propan-2-yl]phenoxy]-3-chloropropan-2-ol
CID 90383890
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
2-(4-hexan-2-yloxyphenoxy)ethanol
CID 15764890
2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
CID 154369507
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
CID 58891754
CID 58891754
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
1-butyl-4-[2-(4-ethoxyphenyl)propan-2-yl]benzene
CID 54365174
1-butyl-4-[2-[4-[2-(4-ethoxyphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 170603027

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene (CID 70880864) is 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene is CCCCOc1ccc(C(C)(C)c2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene?
The InChIKey is QJIXRSFBNKKKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-6-8-17-24-21-13-9-19(10-14-21)23(4,5)20-11-15-22(16-12-20)25-18(3)7-2/h9-16,18H,6-8,17H2,1-5H3.
What are the key properties of 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene?
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene has a molecular weight of 340.51 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 70880864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).