2-butyl-1-(4-tert-butylphenoxy)naphthalene

C24H28O — CID 134929474

IUPAC2-butyl-1-(4-tert-butylphenoxy)naphthalene
SMILESCCCCc1ccc2ccccc2c1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28O/c1-5-6-9-19-13-12-18-10-7-8-11-22(18)23(19)25-21-16-14-20(15-17-21)24(2,3)4/h7-8,10-17H,5-6,9H2,1-4H3
InChIKeyFUBXUCYHGSOIJB-UHFFFAOYSA-N
MW332.49 g/mol
LogP7.27
Rot. Bonds5

About 2-butyl-1-(4-tert-butylphenoxy)naphthalene

2-butyl-1-(4-tert-butylphenoxy)naphthalene (PubChem CID 134929474) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-butyl-1-(4-tert-butylphenoxy)naphthalene.

Molecular Properties

Compound Name2-butyl-1-(4-tert-butylphenoxy)naphthalene
PubChem CID134929474
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name2-butyl-1-(4-tert-butylphenoxy)naphthalene
SMILESCCCCc1ccc2ccccc2c1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H28O/c1-5-6-9-19-13-12-18-10-7-8-11-22(18)23(19)25-21-16-14-20(15-17-21)24(2,3)4/h7-8,10-17H,5-6,9H2,1-4H3
InChIKeyFUBXUCYHGSOIJB-UHFFFAOYSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Etofenprox
CID 71245
Jwh 133
CID 6918505
2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
Benzo(kl)xanthene
CID 67456
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-tert-butylphenoxy)naphthalene?
The IUPAC name of 2-butyl-1-(4-tert-butylphenoxy)naphthalene (CID 134929474) is 2-butyl-1-(4-tert-butylphenoxy)naphthalene.
What is the SMILES notation for 2-butyl-1-(4-tert-butylphenoxy)naphthalene?
The canonical SMILES for 2-butyl-1-(4-tert-butylphenoxy)naphthalene is CCCCc1ccc2ccccc2c1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-butyl-1-(4-tert-butylphenoxy)naphthalene?
The InChIKey is FUBXUCYHGSOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O/c1-5-6-9-19-13-12-18-10-7-8-11-22(18)23(19)25-21-16-14-20(15-17-21)24(2,3)4/h7-8,10-17H,5-6,9H2,1-4H3.
What are the key properties of 2-butyl-1-(4-tert-butylphenoxy)naphthalene?
2-butyl-1-(4-tert-butylphenoxy)naphthalene has a molecular weight of 332.49 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-tert-butylphenoxy)naphthalene is sourced from PubChem (CID 134929474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).