2-hexyl-1,3-dimethoxy-4-methylbenzene

C15H24O2 — CID 524849

IUPAC2-hexyl-1,3-dimethoxy-4-methylbenzene
SMILESCCCCCCc1c(OC)ccc(C)c1OC
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-13-14(16-3)11-10-12(2)15(13)17-4/h10-11H,5-9H2,1-4H3
InChIKeyJIIWWHDBTRDWIU-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.14
Rot. Bonds7

About 2-hexyl-1,3-dimethoxy-4-methylbenzene

2-hexyl-1,3-dimethoxy-4-methylbenzene (PubChem CID 524849) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-hexyl-1,3-dimethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-hexyl-1,3-dimethoxy-4-methylbenzene
PubChem CID524849
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-hexyl-1,3-dimethoxy-4-methylbenzene
SMILESCCCCCCc1c(OC)ccc(C)c1OC
InChIInChI=1S/C15H24O2/c1-5-6-7-8-9-13-14(16-3)11-10-12(2)15(13)17-4/h10-11H,5-9H2,1-4H3
InChIKeyJIIWWHDBTRDWIU-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide
CID 70580971
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
(3-hexyl-2,6-dimethoxyphenyl)boronic acid
CID 66930879
2-butyl-1,3-dimethoxybenzene
CID 524840
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2,3-dibutyl-4-methoxyaniline
CID 175061118
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
1-methoxy-2-tetradecylbenzene
CID 69169530
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-dimethoxy-4-methylbenzene?
The IUPAC name of 2-hexyl-1,3-dimethoxy-4-methylbenzene (CID 524849) is 2-hexyl-1,3-dimethoxy-4-methylbenzene.
What is the SMILES notation for 2-hexyl-1,3-dimethoxy-4-methylbenzene?
The canonical SMILES for 2-hexyl-1,3-dimethoxy-4-methylbenzene is CCCCCCc1c(OC)ccc(C)c1OC.
What is the InChIKey of 2-hexyl-1,3-dimethoxy-4-methylbenzene?
The InChIKey is JIIWWHDBTRDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-7-8-9-13-14(16-3)11-10-12(2)15(13)17-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-hexyl-1,3-dimethoxy-4-methylbenzene?
2-hexyl-1,3-dimethoxy-4-methylbenzene has a molecular weight of 236.35 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-dimethoxy-4-methylbenzene is sourced from PubChem (CID 524849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).