2-methyl-1,3-bis(propan-2-yloxymethyl)benzene

C15H24O2 — CID 101195448

IUPAC2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
SMILESCc1c(COC(C)C)cccc1COC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)16-9-14-7-6-8-15(13(14)5)10-17-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLQPNYYHJZBHIKU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds6

About 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene

2-methyl-1,3-bis(propan-2-yloxymethyl)benzene (PubChem CID 101195448) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
PubChem CID101195448
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
SMILESCc1c(COC(C)C)cccc1COC(C)C
InChIInChI=1S/C15H24O2/c1-11(2)16-9-14-7-6-8-15(13(14)5)10-17-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLQPNYYHJZBHIKU-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene?
The IUPAC name of 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene (CID 101195448) is 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene?
The canonical SMILES for 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene is Cc1c(COC(C)C)cccc1COC(C)C.
What is the InChIKey of 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene?
The InChIKey is LQPNYYHJZBHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)16-9-14-7-6-8-15(13(14)5)10-17-12(3)4/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene?
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene has a molecular weight of 236.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 101195448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).