2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane

C29H38O — CID 143793858

IUPAC2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane
SMILESCCC.Cc1c(-c2ccc(-c3ccc(C(C)(C)O)cc3)cc2)ccc(C(C)C)c1C
InChIInChI=1S/C26H30O.C3H8/c1-17(2)24-15-16-25(19(4)18(24)3)22-9-7-20(8-10-22)21-11-13-23(14-12-21)26(5,6)27;1-3-2/h7-17,27H,1-6H3;3H2,1-2H3
InChIKeyMDCXJMLNPLCROC-UHFFFAOYSA-N
MW402.62 g/mol
LogP8.40
Rot. Bonds4

About 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane

2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane (PubChem CID 143793858) has the molecular formula C29H38O and a molecular weight of 402.62 g/mol. Its IUPAC name is 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane.

Molecular Properties

Compound Name2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane
PubChem CID143793858
Molecular FormulaC29H38O
Molecular Weight402.62 g/mol
Exact Mass402.29
IUPAC Name2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane
SMILESCCC.Cc1c(-c2ccc(-c3ccc(C(C)(C)O)cc3)cc2)ccc(C(C)C)c1C
InChIInChI=1S/C26H30O.C3H8/c1-17(2)24-15-16-25(19(4)18(24)3)22-9-7-20(8-10-22)21-11-13-23(14-12-21)26(5,6)27;1-3-2/h7-17,27H,1-6H3;3H2,1-2H3
InChIKeyMDCXJMLNPLCROC-UHFFFAOYSA-N
XLogP8.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane?
The IUPAC name of 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane (CID 143793858) is 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane.
What is the SMILES notation for 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane?
The canonical SMILES for 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane is CCC.Cc1c(-c2ccc(-c3ccc(C(C)(C)O)cc3)cc2)ccc(C(C)C)c1C.
What is the InChIKey of 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane?
The InChIKey is MDCXJMLNPLCROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O.C3H8/c1-17(2)24-15-16-25(19(4)18(24)3)22-9-7-20(8-10-22)21-11-13-23(14-12-21)26(5,6)27;1-3-2/h7-17,27H,1-6H3;3H2,1-2H3.
What are the key properties of 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane?
2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane has a molecular weight of 402.62 g/mol, XLogP of 8.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,3-dimethyl-4-propan-2-ylphenyl)phenyl]phenyl]propan-2-ol;propane is sourced from PubChem (CID 143793858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).