1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol

C20H24O — CID 63079128

IUPAC1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)C2(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H24O/c1-14-11-15(2)18(16(3)12-14)13-19(21)20(9-10-20)17-7-5-4-6-8-17/h4-8,11-12,19,21H,9-10,13H2,1-3H3
InChIKeyZUPHZRQTNORROX-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.25
Rot. Bonds4

About 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63079128) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID63079128
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)C2(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H24O/c1-14-11-15(2)18(16(3)12-14)13-19(21)20(9-10-20)17-7-5-4-6-8-17/h4-8,11-12,19,21H,9-10,13H2,1-3H3
InChIKeyZUPHZRQTNORROX-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 63079128) is 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)C2(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is ZUPHZRQTNORROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14-11-15(2)18(16(3)12-14)13-19(21)20(9-10-20)17-7-5-4-6-8-17/h4-8,11-12,19,21H,9-10,13H2,1-3H3.
What are the key properties of 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 280.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63079128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).