1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one

C24H28O4 — CID 141100005

IUPAC1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C(O)c2ccc(C(=O)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C24H28O4/c1-16(2)21(25)17-6-8-18(9-7-17)22(26)19-10-12-20(13-11-19)23(27)24(28)14-4-3-5-15-24/h6-13,16,22,26,28H,3-5,14-15H2,1-2H3
InChIKeyMHCQOKBJIAFOQD-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.48
Rot. Bonds6

About 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one

1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one (PubChem CID 141100005) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
PubChem CID141100005
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C(O)c2ccc(C(=O)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C24H28O4/c1-16(2)21(25)17-6-8-18(9-7-17)22(26)19-10-12-20(13-11-19)23(27)24(28)14-4-3-5-15-24/h6-13,16,22,26,28H,3-5,14-15H2,1-2H3
InChIKeyMHCQOKBJIAFOQD-UHFFFAOYSA-N
XLogP4.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one (CID 141100005) is 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(C(O)c2ccc(C(=O)C3(O)CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
The InChIKey is MHCQOKBJIAFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-16(2)21(25)17-6-8-18(9-7-17)22(26)19-10-12-20(13-11-19)23(27)24(28)14-4-3-5-15-24/h6-13,16,22,26,28H,3-5,14-15H2,1-2H3.
What are the key properties of 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one?
1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one has a molecular weight of 380.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 141100005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).