1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene

C23H30O — CID 144776562

IUPAC1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene
SMILESC=CC(C)(CC)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30O/c1-7-23(6,8-2)20-13-15-21(16-14-20)24-17-18-9-11-19(12-10-18)22(3,4)5/h7,9-16H,1,8,17H2,2-6H3
InChIKeyYANXVCZKLGBVFK-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.42
Rot. Bonds6

About 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene

1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene (PubChem CID 144776562) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene
PubChem CID144776562
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene
SMILESC=CC(C)(CC)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30O/c1-7-23(6,8-2)20-13-15-21(16-14-20)24-17-18-9-11-19(12-10-18)22(3,4)5/h7,9-16H,1,8,17H2,2-6H3
InChIKeyYANXVCZKLGBVFK-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
CID 169282336
1-(3-methylpent-1-en-3-yl)-4-(trifluoromethoxy)benzene
CID 170248741
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
1-tert-butyl-4-[[4-(3-methyloctan-4-yl)phenoxy]methyl]benzene
CID 123902937
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002157
[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
CID 143948500
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene?
The IUPAC name of 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene (CID 144776562) is 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene is C=CC(C)(CC)c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene?
The InChIKey is YANXVCZKLGBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-7-23(6,8-2)20-13-15-21(16-14-20)24-17-18-9-11-19(12-10-18)22(3,4)5/h7,9-16H,1,8,17H2,2-6H3.
What are the key properties of 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene?
1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene has a molecular weight of 322.49 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(3-methylpent-1-en-3-yl)phenoxy]methyl]benzene is sourced from PubChem (CID 144776562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).