1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one

C33H50O — CID 100949370

IUPAC1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
SMILESCC(=O)C(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C33H50O/c1-18(2)25-14-27(20(5)6)32(28(15-25)21(7)8)31(24(13)34)33-29(22(9)10)16-26(19(3)4)17-30(33)23(11)12/h14-23,31H,1-13H3
InChIKeySWCVCSYSJVCHCJ-UHFFFAOYSA-N
MW462.76 g/mol
LogP10.15
Rot. Bonds9

About 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one

1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one (PubChem CID 100949370) has the molecular formula C33H50O and a molecular weight of 462.76 g/mol. Its IUPAC name is 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
PubChem CID100949370
Molecular FormulaC33H50O
Molecular Weight462.76 g/mol
Exact Mass462.39
IUPAC Name1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
SMILESCC(=O)C(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C33H50O/c1-18(2)25-14-27(20(5)6)32(28(15-25)21(7)8)31(24(13)34)33-29(22(9)10)16-26(19(3)4)17-30(33)23(11)12/h14-23,31H,1-13H3
InChIKeySWCVCSYSJVCHCJ-UHFFFAOYSA-N
XLogP10.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
CID 171869191
S-[2,4,6-tri(propan-2-yl)phenyl] 2-bromopropanethioate
CID 11383137
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
2-[(1R)-1-[(1Z)-2-methylbuta-1,3-dienoxy]ethyl]-1,3,5-tri(propan-2-yl)benzene
CID 134882548
2-hydroxy-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]butane-1,3-dione
CID 10687054
lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 174463953
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
bis[2,4,6-tri(propan-2-yl)phenyl]borinic acid
CID 139174643
3-[2,4,6-tri(propan-2-yl)phenyl]sulfinylpent-3-en-2-one
CID 85241413
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one (CID 100949370) is 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one is CC(=O)C(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one?
The InChIKey is SWCVCSYSJVCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O/c1-18(2)25-14-27(20(5)6)32(28(15-25)21(7)8)31(24(13)34)33-29(22(9)10)16-26(19(3)4)17-30(33)23(11)12/h14-23,31H,1-13H3.
What are the key properties of 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one?
1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one has a molecular weight of 462.76 g/mol, XLogP of 10.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 100949370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).