2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene

C24H34O4 — CID 155512745

IUPAC2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene
SMILESCCCCOc1c(OC)cc(CCC)cc1Oc1ccc(CCC)cc1OC
InChIInChI=1S/C24H34O4/c1-6-9-14-27-24-22(26-5)16-19(11-8-3)17-23(24)28-20-13-12-18(10-7-2)15-21(20)25-4/h12-13,15-17H,6-11,14H2,1-5H3
InChIKeyVWIUSGYDNYMDAE-UHFFFAOYSA-N
MW386.53 g/mol
LogP6.58
Rot. Bonds12

About 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene

2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene (PubChem CID 155512745) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene.

Molecular Properties

Compound Name2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene
PubChem CID155512745
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene
SMILESCCCCOc1c(OC)cc(CCC)cc1Oc1ccc(CCC)cc1OC
InChIInChI=1S/C24H34O4/c1-6-9-14-27-24-22(26-5)16-19(11-8-3)17-23(24)28-20-13-12-18(10-7-2)15-21(20)25-4/h12-13,15-17H,6-11,14H2,1-5H3
InChIKeyVWIUSGYDNYMDAE-UHFFFAOYSA-N
XLogP6.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 56.58
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

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1,2,3-tridodecoxy-5-propylbenzene
CID 91343460
1,2,3-tri(icosoxy)-5-propylbenzene
CID 91304070
1,2,3-tributoxy-5-butylbenzene
CID 91807962
(4-butoxy-3-methoxyphenyl)methylazanium
CID 7139463
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
2-(4-butoxy-3-methoxyphenyl)acetonitrile
CID 21245118
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
3-(2-methoxy-4-propylphenoxy)-2-nitrosopyridine
CID 89099909
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene?
The IUPAC name of 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene (CID 155512745) is 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene.
What is the SMILES notation for 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene?
The canonical SMILES for 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene is CCCCOc1c(OC)cc(CCC)cc1Oc1ccc(CCC)cc1OC.
What is the InChIKey of 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene?
The InChIKey is VWIUSGYDNYMDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-6-9-14-27-24-22(26-5)16-19(11-8-3)17-23(24)28-20-13-12-18(10-7-2)15-21(20)25-4/h12-13,15-17H,6-11,14H2,1-5H3.
What are the key properties of 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene?
2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene has a molecular weight of 386.53 g/mol, XLogP of 6.58, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-methoxy-3-(2-methoxy-4-propylphenoxy)-5-propylbenzene is sourced from PubChem (CID 155512745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).