1-methoxypropan-2-ylbenzene

C10H14O — CID 3017624

IUPAC1-methoxypropan-2-ylbenzene
SMILESCOCC(C)c1ccccc1
InChIInChI=1S/C10H14O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyJSLADQCPHDFYDG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds3

About 1-methoxypropan-2-ylbenzene

1-methoxypropan-2-ylbenzene (PubChem CID 3017624) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methoxypropan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxypropan-2-ylbenzene
PubChem CID3017624
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-methoxypropan-2-ylbenzene
SMILESCOCC(C)c1ccccc1
InChIInChI=1S/C10H14O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyJSLADQCPHDFYDG-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ylbenzene?
The IUPAC name of 1-methoxypropan-2-ylbenzene (CID 3017624) is 1-methoxypropan-2-ylbenzene.
What is the SMILES notation for 1-methoxypropan-2-ylbenzene?
The canonical SMILES for 1-methoxypropan-2-ylbenzene is COCC(C)c1ccccc1.
What is the InChIKey of 1-methoxypropan-2-ylbenzene?
The InChIKey is JSLADQCPHDFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-methoxypropan-2-ylbenzene?
1-methoxypropan-2-ylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ylbenzene is sourced from PubChem (CID 3017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).