2-butyl-1,3-dimethoxybenzene

C12H18O2 — CID 524840

IUPAC2-butyl-1,3-dimethoxybenzene
SMILESCCCCc1c(OC)cccc1OC
InChIInChI=1S/C12H18O2/c1-4-5-7-10-11(13-2)8-6-9-12(10)14-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHKRXKZXKXUTCQU-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.05
Rot. Bonds5

About 2-butyl-1,3-dimethoxybenzene

2-butyl-1,3-dimethoxybenzene (PubChem CID 524840) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-butyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-butyl-1,3-dimethoxybenzene
PubChem CID524840
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-butyl-1,3-dimethoxybenzene
SMILESCCCCc1c(OC)cccc1OC
InChIInChI=1S/C12H18O2/c1-4-5-7-10-11(13-2)8-6-9-12(10)14-3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHKRXKZXKXUTCQU-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

2-butyl-3-methoxybenzaldehyde
CID 86170278
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-butyl-1-(1,1-dimethoxyethyl)-3-methoxybenzene
CID 139787249
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
2,3-dibutyl-4-methoxyaniline
CID 175061118
3-methoxy-2-propylphenol
CID 10607156
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
3-methoxy-2-propylaniline
CID 70555018

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethoxybenzene?
The IUPAC name of 2-butyl-1,3-dimethoxybenzene (CID 524840) is 2-butyl-1,3-dimethoxybenzene.
What is the SMILES notation for 2-butyl-1,3-dimethoxybenzene?
The canonical SMILES for 2-butyl-1,3-dimethoxybenzene is CCCCc1c(OC)cccc1OC.
What is the InChIKey of 2-butyl-1,3-dimethoxybenzene?
The InChIKey is HKRXKZXKXUTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-7-10-11(13-2)8-6-9-12(10)14-3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-butyl-1,3-dimethoxybenzene?
2-butyl-1,3-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 2-butyl-1,3-dimethoxybenzene is sourced from PubChem (CID 524840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).