1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene

C22H28O — CID 144924352

IUPAC1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene
SMILESCc1ccc(C2CCC(OCc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C22H28O/c1-16-4-6-20(7-5-16)21-8-10-22(11-9-21)23-15-19-13-17(2)12-18(3)14-19/h4-7,12-14,21-22H,8-11,15H2,1-3H3
InChIKeyOEIVZMMKAYYQSF-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.85
Rot. Bonds4

About 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene

1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene (PubChem CID 144924352) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene
PubChem CID144924352
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene
SMILESCc1ccc(C2CCC(OCc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C22H28O/c1-16-4-6-20(7-5-16)21-8-10-22(11-9-21)23-15-19-13-17(2)12-18(3)14-19/h4-7,12-14,21-22H,8-11,15H2,1-3H3
InChIKeyOEIVZMMKAYYQSF-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene (CID 144924352) is 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene is Cc1ccc(C2CCC(OCc3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene?
The InChIKey is OEIVZMMKAYYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-16-4-6-20(7-5-16)21-8-10-22(11-9-21)23-15-19-13-17(2)12-18(3)14-19/h4-7,12-14,21-22H,8-11,15H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene?
1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene has a molecular weight of 308.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene is sourced from PubChem (CID 144924352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).