2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene

C14H22O3 — CID 24770685

IUPAC2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
SMILESCCCCc1c(OC)cc(COC)cc1OC
InChIInChI=1S/C14H22O3/c1-5-6-7-12-13(16-3)8-11(10-15-2)9-14(12)17-4/h8-9H,5-7,10H2,1-4H3
InChIKeyQMLBVLYGZHCGRZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.19
Rot. Bonds7

About 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene

2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene (PubChem CID 24770685) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene.

Molecular Properties

Compound Name2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
PubChem CID24770685
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
SMILESCCCCc1c(OC)cc(COC)cc1OC
InChIInChI=1S/C14H22O3/c1-5-6-7-12-13(16-3)8-11(10-15-2)9-14(12)17-4/h8-9H,5-7,10H2,1-4H3
InChIKeyQMLBVLYGZHCGRZ-UHFFFAOYSA-N
XLogP3.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-1,3-dimethoxybenzene
CID 524840
1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
CID 117355207
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 141429039
2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
4-butyl-3-methoxy-5-methylbenzoic acid
CID 155978922
CID 66930918
CID 66930918
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene?
The IUPAC name of 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene (CID 24770685) is 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene.
What is the SMILES notation for 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene?
The canonical SMILES for 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene is CCCCc1c(OC)cc(COC)cc1OC.
What is the InChIKey of 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene?
The InChIKey is QMLBVLYGZHCGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-6-7-12-13(16-3)8-11(10-15-2)9-14(12)17-4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene?
2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene has a molecular weight of 238.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene is sourced from PubChem (CID 24770685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).