ethane;1-methoxy-4-(3-methoxypropoxy)benzene

C15H28O3 — CID 143283206

IUPACethane;1-methoxy-4-(3-methoxypropoxy)benzene
SMILESCC.CC.COCCCOc1ccc(OC)cc1
InChIInChI=1S/C11H16O3.2C2H6/c1-12-8-3-9-14-11-6-4-10(13-2)5-7-11;2*1-2/h4-7H,3,8-9H2,1-2H3;2*1-2H3
InChIKeyLYRQJPDKZZJICO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.16
Rot. Bonds6

About ethane;1-methoxy-4-(3-methoxypropoxy)benzene

ethane;1-methoxy-4-(3-methoxypropoxy)benzene (PubChem CID 143283206) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-methoxy-4-(3-methoxypropoxy)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-(3-methoxypropoxy)benzene
PubChem CID143283206
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameethane;1-methoxy-4-(3-methoxypropoxy)benzene
SMILESCC.CC.COCCCOc1ccc(OC)cc1
InChIInChI=1S/C11H16O3.2C2H6/c1-12-8-3-9-14-11-6-4-10(13-2)5-7-11;2*1-2/h4-7H,3,8-9H2,1-2H3;2*1-2H3
InChIKeyLYRQJPDKZZJICO-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(3-methoxypropoxy)benzene?
The IUPAC name of ethane;1-methoxy-4-(3-methoxypropoxy)benzene (CID 143283206) is ethane;1-methoxy-4-(3-methoxypropoxy)benzene.
What is the SMILES notation for ethane;1-methoxy-4-(3-methoxypropoxy)benzene?
The canonical SMILES for ethane;1-methoxy-4-(3-methoxypropoxy)benzene is CC.CC.COCCCOc1ccc(OC)cc1.
What is the InChIKey of ethane;1-methoxy-4-(3-methoxypropoxy)benzene?
The InChIKey is LYRQJPDKZZJICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3.2C2H6/c1-12-8-3-9-14-11-6-4-10(13-2)5-7-11;2*1-2/h4-7H,3,8-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-4-(3-methoxypropoxy)benzene?
ethane;1-methoxy-4-(3-methoxypropoxy)benzene has a molecular weight of 256.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(3-methoxypropoxy)benzene is sourced from PubChem (CID 143283206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).