2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene

C13H20O — CID 130223867

IUPAC2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
SMILESCOc1c(C)cccc1[C@@H](C)C(C)C
InChIInChI=1S/C13H20O/c1-9(2)11(4)12-8-6-7-10(3)13(12)14-5/h6-9,11H,1-5H3/t11-/m0/s1
InChIKeyZHGRVTVUVRSEKQ-NSHDSACASA-N
MW192.30 g/mol
LogP3.76
Rot. Bonds3

About 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene

2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene (PubChem CID 130223867) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
PubChem CID130223867
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
SMILESCOc1c(C)cccc1[C@@H](C)C(C)C
InChIInChI=1S/C13H20O/c1-9(2)11(4)12-8-6-7-10(3)13(12)14-5/h6-9,11H,1-5H3/t11-/m0/s1
InChIKeyZHGRVTVUVRSEKQ-NSHDSACASA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene?
The IUPAC name of 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene (CID 130223867) is 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene.
What is the SMILES notation for 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene?
The canonical SMILES for 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene is COc1c(C)cccc1[C@@H](C)C(C)C.
What is the InChIKey of 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene?
The InChIKey is ZHGRVTVUVRSEKQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)11(4)12-8-6-7-10(3)13(12)14-5/h6-9,11H,1-5H3/t11-/m0/s1.
What are the key properties of 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene?
2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene has a molecular weight of 192.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 130223867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).