1-methoxy-2-(3-methylbutoxymethyl)benzene

C13H20O2 — CID 91710990

IUPAC1-methoxy-2-(3-methylbutoxymethyl)benzene
SMILESCOc1ccccc1COCCC(C)C
InChIInChI=1S/C13H20O2/c1-11(2)8-9-15-10-12-6-4-5-7-13(12)14-3/h4-7,11H,8-10H2,1-3H3
InChIKeyUOLBRWKDFDJNEW-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.26
Rot. Bonds6

About 1-methoxy-2-(3-methylbutoxymethyl)benzene

1-methoxy-2-(3-methylbutoxymethyl)benzene (PubChem CID 91710990) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methoxy-2-(3-methylbutoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(3-methylbutoxymethyl)benzene
PubChem CID91710990
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-methoxy-2-(3-methylbutoxymethyl)benzene
SMILESCOc1ccccc1COCCC(C)C
InChIInChI=1S/C13H20O2/c1-11(2)8-9-15-10-12-6-4-5-7-13(12)14-3/h4-7,11H,8-10H2,1-3H3
InChIKeyUOLBRWKDFDJNEW-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-(3-methylbutoxymethyl)-2-(trifluoromethyl)benzene
CID 91723334
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
2-(3-methylbutoxymethyl)benzenecarbothioamide
CID 24709954
N-[(2-methoxyphenyl)methoxy]methanamine
CID 105433405
carbon monoxide;(3S,6E,8E)-3-hydroxy-1-[(2-methoxyphenyl)methoxy]deca-6,8-dien-5-one;iron
CID 11826386
2-fluoro-3-(3-methylbutoxymethyl)aniline
CID 107347874
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3-methylbutoxymethyl)benzene?
The IUPAC name of 1-methoxy-2-(3-methylbutoxymethyl)benzene (CID 91710990) is 1-methoxy-2-(3-methylbutoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-2-(3-methylbutoxymethyl)benzene?
The canonical SMILES for 1-methoxy-2-(3-methylbutoxymethyl)benzene is COc1ccccc1COCCC(C)C.
What is the InChIKey of 1-methoxy-2-(3-methylbutoxymethyl)benzene?
The InChIKey is UOLBRWKDFDJNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)8-9-15-10-12-6-4-5-7-13(12)14-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-2-(3-methylbutoxymethyl)benzene?
1-methoxy-2-(3-methylbutoxymethyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3-methylbutoxymethyl)benzene is sourced from PubChem (CID 91710990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).