2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol

C14H24O2 — CID 66965840

IUPAC2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
SMILESCCC(C)CO.COc1c(C)cccc1C
InChIInChI=1S/C9H12O.C5H12O/c1-7-5-4-6-8(2)9(7)10-3;1-3-5(2)4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyYVXOOTSLWDWOET-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds3

About 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol

2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol (PubChem CID 66965840) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol.

Molecular Properties

Compound Name2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
PubChem CID66965840
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
SMILESCCC(C)CO.COc1c(C)cccc1C
InChIInChI=1S/C9H12O.C5H12O/c1-7-5-4-6-8(2)9(7)10-3;1-3-5(2)4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyYVXOOTSLWDWOET-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 83685742
2-[1-(2,6-dimethylphenoxy)ethylamino]propan-1-ol
CID 66938242
2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
CID 174336215
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
CID 143611271
2-[(2-methoxy-3-methylphenyl)methyl]butanoic acid
CID 169488668
2-(2-methoxy-3-methylphenyl)butanal
CID 83830164
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol?
The IUPAC name of 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol (CID 66965840) is 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol.
What is the SMILES notation for 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol?
The canonical SMILES for 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol is CCC(C)CO.COc1c(C)cccc1C.
What is the InChIKey of 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol?
The InChIKey is YVXOOTSLWDWOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C5H12O/c1-7-5-4-6-8(2)9(7)10-3;1-3-5(2)4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol?
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol is sourced from PubChem (CID 66965840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).