1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene

C30H38O2 — CID 143629949

IUPAC1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene
SMILESCCCCOc1ccc(CCC(C)Oc2ccc(CC(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H38O2/c1-4-5-21-31-29-17-13-26(14-18-29)12-11-25(3)32-30-19-15-28(16-20-30)23-24(2)22-27-9-7-6-8-10-27/h6-10,13-20,24-25H,4-5,11-12,21-23H2,1-3H3
InChIKeyUULYVNLQOACKTM-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.69
Rot. Bonds13

About 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene

1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene (PubChem CID 143629949) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene
PubChem CID143629949
Molecular FormulaC30H38O2
Molecular Weight430.63 g/mol
Exact Mass430.29
IUPAC Name1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene
SMILESCCCCOc1ccc(CCC(C)Oc2ccc(CC(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C30H38O2/c1-4-5-21-31-29-17-13-26(14-18-29)12-11-25(3)32-30-19-15-28(16-20-30)23-24(2)22-27-9-7-6-8-10-27/h6-10,13-20,24-25H,4-5,11-12,21-23H2,1-3H3
InChIKeyUULYVNLQOACKTM-UHFFFAOYSA-N
XLogP7.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.69
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

Tamoxifen
CID 2733526
Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
Cyclofenil
CID 2898
Chlorotrianisene
CID 11289
Ospemifene
CID 3036505
4-Nonylphenol diethoxylate
CID 24773
Bisphenol F diglycidyl ether
CID 91511
4-Methoxybiphenyl
CID 11943
1,1,2,2-Tetrakis(4-glycidoxyphenyl)ethane
CID 62630
2-(2-Methylpropoxy)naphthalene
CID 16582
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene?
The IUPAC name of 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene (CID 143629949) is 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene.
What is the SMILES notation for 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene?
The canonical SMILES for 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene is CCCCOc1ccc(CCC(C)Oc2ccc(CC(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene?
The InChIKey is UULYVNLQOACKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-4-5-21-31-29-17-13-26(14-18-29)12-11-25(3)32-30-19-15-28(16-20-30)23-24(2)22-27-9-7-6-8-10-27/h6-10,13-20,24-25H,4-5,11-12,21-23H2,1-3H3.
What are the key properties of 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene?
1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene has a molecular weight of 430.63 g/mol, XLogP of 7.69, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[3-[4-(2-methyl-3-phenylpropyl)phenoxy]butyl]benzene is sourced from PubChem (CID 143629949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).