1-butyl-3,5-dimethoxybenzene

C12H18O2 — CID 524875

IUPAC1-butyl-3,5-dimethoxybenzene
SMILESCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-5-6-10-7-11(13-2)9-12(8-10)14-3/h7-9H,4-6H2,1-3H3
InChIKeyJNAVXGYUAXCROD-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.05
Rot. Bonds5

About 1-butyl-3,5-dimethoxybenzene

1-butyl-3,5-dimethoxybenzene (PubChem CID 524875) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-butyl-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-butyl-3,5-dimethoxybenzene
PubChem CID524875
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-butyl-3,5-dimethoxybenzene
SMILESCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C12H18O2/c1-4-5-6-10-7-11(13-2)9-12(8-10)14-3/h7-9H,4-6H2,1-3H3
InChIKeyJNAVXGYUAXCROD-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-5-methoxyphenol
CID 12836529
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-diheptoxybenzene
CID 91325989
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
N-butylsulfanyl-2-(3,5-dimethoxyphenyl)ethanamine
CID 175843537
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethoxybenzene?
The IUPAC name of 1-butyl-3,5-dimethoxybenzene (CID 524875) is 1-butyl-3,5-dimethoxybenzene.
What is the SMILES notation for 1-butyl-3,5-dimethoxybenzene?
The canonical SMILES for 1-butyl-3,5-dimethoxybenzene is CCCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-butyl-3,5-dimethoxybenzene?
The InChIKey is JNAVXGYUAXCROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-6-10-7-11(13-2)9-12(8-10)14-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-butyl-3,5-dimethoxybenzene?
1-butyl-3,5-dimethoxybenzene has a molecular weight of 194.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethoxybenzene is sourced from PubChem (CID 524875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).