1,3-dibutyl-2,4-dimethoxybenzene

C16H26O2 — CID 162495747

IUPAC1,3-dibutyl-2,4-dimethoxybenzene
SMILESCCCCc1ccc(OC)c(CCCC)c1OC
InChIInChI=1S/C16H26O2/c1-5-7-9-13-11-12-15(17-3)14(10-8-6-2)16(13)18-4/h11-12H,5-10H2,1-4H3
InChIKeyDOBJOYUYBQNELQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds8

About 1,3-dibutyl-2,4-dimethoxybenzene

1,3-dibutyl-2,4-dimethoxybenzene (PubChem CID 162495747) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,3-dibutyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1,3-dibutyl-2,4-dimethoxybenzene
PubChem CID162495747
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,3-dibutyl-2,4-dimethoxybenzene
SMILESCCCCc1ccc(OC)c(CCCC)c1OC
InChIInChI=1S/C16H26O2/c1-5-7-9-13-11-12-15(17-3)14(10-8-6-2)16(13)18-4/h11-12H,5-10H2,1-4H3
InChIKeyDOBJOYUYBQNELQ-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
2-butyl-1,3-dimethoxybenzene
CID 524840
3-benzyl-1,2-dibutyl-4-methoxybenzene
CID 70537049
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
2,3-dibutyl-4-methoxyaniline
CID 175061118
(3-hexyl-2,6-dimethoxyphenyl)boronic acid
CID 66930879
1,2,3,4-tetrabutylbenzene
CID 11220391
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
1-(2,3-dimethoxy-4-pentadecylphenyl)-2,3-dimethoxy-4-pentadecylbenzene
CID 86127214
ethyl (E)-3-(2,6-dibutyl-3-methoxyphenyl)prop-2-enoate
CID 162420505
CID 141080532
CID 141080532
tris(2,3,4-tributylphenyl) borate
CID 68718164

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2,4-dimethoxybenzene?
The IUPAC name of 1,3-dibutyl-2,4-dimethoxybenzene (CID 162495747) is 1,3-dibutyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1,3-dibutyl-2,4-dimethoxybenzene?
The canonical SMILES for 1,3-dibutyl-2,4-dimethoxybenzene is CCCCc1ccc(OC)c(CCCC)c1OC.
What is the InChIKey of 1,3-dibutyl-2,4-dimethoxybenzene?
The InChIKey is DOBJOYUYBQNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-9-13-11-12-15(17-3)14(10-8-6-2)16(13)18-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,3-dibutyl-2,4-dimethoxybenzene?
1,3-dibutyl-2,4-dimethoxybenzene has a molecular weight of 250.38 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2,4-dimethoxybenzene is sourced from PubChem (CID 162495747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).