bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone

C25H34O3 — CID 54305592

IUPACbis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
SMILESCCCc1c(O)ccc(C(=O)c2ccc(O)c(CCC)c2C(C)C)c1C(C)C
InChIInChI=1S/C25H34O3/c1-7-9-17-21(26)13-11-19(23(17)15(3)4)25(28)20-12-14-22(27)18(10-8-2)24(20)16(5)6/h11-16,26-27H,7-10H2,1-6H3
InChIKeySHGKOSGSGHAEBC-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.48
Rot. Bonds8

About bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone

bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone (PubChem CID 54305592) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone.

Molecular Properties

Compound Namebis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
PubChem CID54305592
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Namebis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
SMILESCCCc1c(O)ccc(C(=O)c2ccc(O)c(CCC)c2C(C)C)c1C(C)C
InChIInChI=1S/C25H34O3/c1-7-9-17-21(26)13-11-19(23(17)15(3)4)25(28)20-12-14-22(27)18(10-8-2)24(20)16(5)6/h11-16,26-27H,7-10H2,1-6H3
InChIKeySHGKOSGSGHAEBC-UHFFFAOYSA-N
XLogP6.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone?
The IUPAC name of bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone (CID 54305592) is bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone.
What is the SMILES notation for bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone?
The canonical SMILES for bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone is CCCc1c(O)ccc(C(=O)c2ccc(O)c(CCC)c2C(C)C)c1C(C)C.
What is the InChIKey of bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone?
The InChIKey is SHGKOSGSGHAEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-7-9-17-21(26)13-11-19(23(17)15(3)4)25(28)20-12-14-22(27)18(10-8-2)24(20)16(5)6/h11-16,26-27H,7-10H2,1-6H3.
What are the key properties of bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone?
bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone has a molecular weight of 382.54 g/mol, XLogP of 6.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone is sourced from PubChem (CID 54305592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).