1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene

C20H24O — CID 146167604

IUPAC1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
SMILESC=C(C)CC(C)(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-16(2)14-20(3,4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13H,1,14-15H2,2-4H3
InChIKeyIDBILBIJXHIQCD-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.51
Rot. Bonds6

About 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene

1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene (PubChem CID 146167604) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
PubChem CID146167604
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
SMILESC=C(C)CC(C)(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24O/c1-16(2)14-20(3,4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13H,1,14-15H2,2-4H3
InChIKeyIDBILBIJXHIQCD-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.51
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

(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
methyl (2R)-2,4-dimethyl-2-(3-phenylmethoxyphenyl)pent-4-enoate
CID 129390639
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
(1S)-3-methyl-1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 171230798
N-methoxy-N,2-dimethyl-2-(4-phenylmethoxyphenyl)propanamide
CID 134113096
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene (CID 146167604) is 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene is C=C(C)CC(C)(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene?
The InChIKey is IDBILBIJXHIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-16(2)14-20(3,4)18-10-12-19(13-11-18)21-15-17-8-6-5-7-9-17/h5-13H,1,14-15H2,2-4H3.
What are the key properties of 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene?
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene has a molecular weight of 280.41 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene is sourced from PubChem (CID 146167604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).