1-ethyl-3-methoxy-5-(2-methylpropyl)benzene

C13H20O — CID 155459307

IUPAC1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
SMILESCCc1cc(CC(C)C)cc(OC)c1
InChIInChI=1S/C13H20O/c1-5-11-7-12(6-10(2)3)9-13(8-11)14-4/h7-10H,5-6H2,1-4H3
InChIKeyAOVBIWPIJJEILX-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.46
Rot. Bonds4

About 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene

1-ethyl-3-methoxy-5-(2-methylpropyl)benzene (PubChem CID 155459307) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
PubChem CID155459307
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
SMILESCCc1cc(CC(C)C)cc(OC)c1
InChIInChI=1S/C13H20O/c1-5-11-7-12(6-10(2)3)9-13(8-11)14-4/h7-10H,5-6H2,1-4H3
InChIKeyAOVBIWPIJJEILX-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(2-methylpropyl)-5-propan-2-yloxybenzene
CID 70932281
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
2-(3-ethyl-5-methoxyphenyl)propanal
CID 134639392
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
3-ethylpentane;1,3,5-triethylbenzene
CID 159585163
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
1-(3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117296829
2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
CID 163823681

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene?
The IUPAC name of 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene (CID 155459307) is 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene?
The canonical SMILES for 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene is CCc1cc(CC(C)C)cc(OC)c1.
What is the InChIKey of 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene?
The InChIKey is AOVBIWPIJJEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-11-7-12(6-10(2)3)9-13(8-11)14-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene?
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-5-(2-methylpropyl)benzene is sourced from PubChem (CID 155459307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).