1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene

C24H32O — CID 70537226

IUPAC1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
SMILESCC(C)(C)C(Oc1ccccc1CC=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O/c1-23(2,3)22(24(4,5)6)25-21-18-11-10-16-20(21)17-12-15-19-13-8-7-9-14-19/h7-16,18,22H,17H2,1-6H3
InChIKeyFEVCBPGYBNUKFE-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.78
Rot. Bonds5

About 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene

1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene (PubChem CID 70537226) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
PubChem CID70537226
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
SMILESCC(C)(C)C(Oc1ccccc1CC=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O/c1-23(2,3)22(24(4,5)6)25-21-18-11-10-16-20(21)17-12-15-19-13-8-7-9-14-19/h7-16,18,22H,17H2,1-6H3
InChIKeyFEVCBPGYBNUKFE-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene
CID 123182803
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene?
The IUPAC name of 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene (CID 70537226) is 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene is CC(C)(C)C(Oc1ccccc1CC=Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene?
The InChIKey is FEVCBPGYBNUKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-23(2,3)22(24(4,5)6)25-21-18-11-10-16-20(21)17-12-15-19-13-8-7-9-14-19/h7-16,18,22H,17H2,1-6H3.
What are the key properties of 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene?
1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene has a molecular weight of 336.52 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene is sourced from PubChem (CID 70537226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).