2-hexoxy-1,3,5-trimethoxybenzene

C15H24O4 — CID 54146903

IUPAC2-hexoxy-1,3,5-trimethoxybenzene
SMILESCCCCCCOc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H24O4/c1-5-6-7-8-9-19-15-13(17-3)10-12(16-2)11-14(15)18-4/h10-11H,5-9H2,1-4H3
InChIKeyLOOFUEHYUUBOOO-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.67
Rot. Bonds9

About 2-hexoxy-1,3,5-trimethoxybenzene

2-hexoxy-1,3,5-trimethoxybenzene (PubChem CID 54146903) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-hexoxy-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-hexoxy-1,3,5-trimethoxybenzene
PubChem CID54146903
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-hexoxy-1,3,5-trimethoxybenzene
SMILESCCCCCCOc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H24O4/c1-5-6-7-8-9-19-15-13(17-3)10-12(16-2)11-14(15)18-4/h10-11H,5-9H2,1-4H3
InChIKeyLOOFUEHYUUBOOO-UHFFFAOYSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-3,5-dimethoxyphenol
CID 10244041
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
5-(bromomethyl)-1-chloro-2-hexoxy-3-methoxybenzene
CID 43324495
5-(bromomethyl)-1-chloro-3-methoxy-2-octoxybenzene
CID 43324494
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-1,3,5-trimethoxybenzene?
The IUPAC name of 2-hexoxy-1,3,5-trimethoxybenzene (CID 54146903) is 2-hexoxy-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-hexoxy-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-hexoxy-1,3,5-trimethoxybenzene is CCCCCCOc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-hexoxy-1,3,5-trimethoxybenzene?
The InChIKey is LOOFUEHYUUBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-6-7-8-9-19-15-13(17-3)10-12(16-2)11-14(15)18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-hexoxy-1,3,5-trimethoxybenzene?
2-hexoxy-1,3,5-trimethoxybenzene has a molecular weight of 268.35 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-1,3,5-trimethoxybenzene is sourced from PubChem (CID 54146903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).