[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate

C24H30O3 — CID 142025258

IUPAC[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(COC2CCCC(c3ccc(C)cc3)C2C)cc1
InChIInChI=1S/C24H30O3/c1-17-7-13-22(14-8-17)23-5-4-6-24(18(23)2)27-16-21-11-9-20(10-12-21)15-26-19(3)25/h7-14,18,23-24H,4-6,15-16H2,1-3H3
InChIKeyKXPLSKWLVCYJNC-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.55
Rot. Bonds6

About [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate

[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate (PubChem CID 142025258) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate
PubChem CID142025258
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(COC2CCCC(c3ccc(C)cc3)C2C)cc1
InChIInChI=1S/C24H30O3/c1-17-7-13-22(14-8-17)23-5-4-6-24(18(23)2)27-16-21-11-9-20(10-12-21)15-26-19(3)25/h7-14,18,23-24H,4-6,15-16H2,1-3H3
InChIKeyKXPLSKWLVCYJNC-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate?
The IUPAC name of [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate (CID 142025258) is [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate.
What is the SMILES notation for [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate?
The canonical SMILES for [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate is CC(=O)OCc1ccc(COC2CCCC(c3ccc(C)cc3)C2C)cc1.
What is the InChIKey of [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate?
The InChIKey is KXPLSKWLVCYJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-17-7-13-22(14-8-17)23-5-4-6-24(18(23)2)27-16-21-11-9-20(10-12-21)15-26-19(3)25/h7-14,18,23-24H,4-6,15-16H2,1-3H3.
What are the key properties of [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate?
[4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate has a molecular weight of 366.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-methyl-3-(4-methylphenyl)cyclohexyl]oxymethyl]phenyl]methyl acetate is sourced from PubChem (CID 142025258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).