3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene

C23H40O3 — CID 144633088

IUPAC3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene
SMILESCOC(C)(C)C(C)(C)O.Cc1ccc(OC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C16H24O.C7H16O2/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-6(2,8)7(3,4)9-5/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3;8H,1-5H3
InChIKeyDVSWBAHMQCOBFX-UHFFFAOYSA-N
MW364.57 g/mol
LogP5.77
Rot. Bonds5

About 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene

3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene (PubChem CID 144633088) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene
PubChem CID144633088
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene
SMILESCOC(C)(C)C(C)(C)O.Cc1ccc(OC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C16H24O.C7H16O2/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-6(2,8)7(3,4)9-5/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3;8H,1-5H3
InChIKeyDVSWBAHMQCOBFX-UHFFFAOYSA-N
XLogP5.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene?
The IUPAC name of 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene (CID 144633088) is 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene.
What is the SMILES notation for 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene?
The canonical SMILES for 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene is COC(C)(C)C(C)(C)O.Cc1ccc(OC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene?
The InChIKey is DVSWBAHMQCOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C7H16O2/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-6(2,8)7(3,4)9-5/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3;8H,1-5H3.
What are the key properties of 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene?
3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene has a molecular weight of 364.57 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene is sourced from PubChem (CID 144633088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).