2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol

C22H30O — CID 66879504

IUPAC2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
SMILESCCCCc1cc(C(C)(C)c2ccccc2)cc(CCC)c1O
InChIInChI=1S/C22H30O/c1-5-7-12-18-16-20(15-17(11-6-2)21(18)23)22(3,4)19-13-9-8-10-14-19/h8-10,13-16,23H,5-7,11-12H2,1-4H3
InChIKeyAGMVRFBVPSPDHB-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.01
Rot. Bonds7

About 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol

2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol (PubChem CID 66879504) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol.

Molecular Properties

Compound Name2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
PubChem CID66879504
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
SMILESCCCCc1cc(C(C)(C)c2ccccc2)cc(CCC)c1O
InChIInChI=1S/C22H30O/c1-5-7-12-18-16-20(15-17(11-6-2)21(18)23)22(3,4)19-13-9-8-10-14-19/h8-10,13-16,23H,5-7,11-12H2,1-4H3
InChIKeyAGMVRFBVPSPDHB-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(3,5-dibutyl-4-hydroxyphenyl)propanoic acid
CID 69306762
2-butyl-4-ethyl-6-propylphenol
CID 66988794
4-phenyl-2,6-dipropylphenol
CID 66879307
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
2-butyl-4-pentyl-6-propylphenol
CID 66878895
4-butyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866749
3-nonyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66866598
4-butyl-3-dodecyl-2-(2-phenylpropan-2-yl)phenol
CID 66866156
3-heptyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865536
2,4-bis(2-phenylpropan-2-yl)-6-(sulfanylmethyl)phenol
CID 89410298
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
3-dodecyl-4-hexyl-2-(2-phenylpropan-2-yl)phenol
CID 66866753

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol?
The IUPAC name of 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol (CID 66879504) is 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol.
What is the SMILES notation for 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol?
The canonical SMILES for 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol is CCCCc1cc(C(C)(C)c2ccccc2)cc(CCC)c1O.
What is the InChIKey of 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol?
The InChIKey is AGMVRFBVPSPDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-5-7-12-18-16-20(15-17(11-6-2)21(18)23)22(3,4)19-13-9-8-10-14-19/h8-10,13-16,23H,5-7,11-12H2,1-4H3.
What are the key properties of 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol?
2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol has a molecular weight of 310.48 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol is sourced from PubChem (CID 66879504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).