ethane;1-methoxy-4-(4-methoxybutoxy)benzene

C14H24O3 — CID 143283261

IUPACethane;1-methoxy-4-(4-methoxybutoxy)benzene
SMILESCC.COCCCCOc1ccc(OC)cc1
InChIInChI=1S/C12H18O3.C2H6/c1-13-9-3-4-10-15-12-7-5-11(14-2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyXHTJAHGTGAPZFO-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.53
Rot. Bonds7

About ethane;1-methoxy-4-(4-methoxybutoxy)benzene

ethane;1-methoxy-4-(4-methoxybutoxy)benzene (PubChem CID 143283261) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethane;1-methoxy-4-(4-methoxybutoxy)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-(4-methoxybutoxy)benzene
PubChem CID143283261
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethane;1-methoxy-4-(4-methoxybutoxy)benzene
SMILESCC.COCCCCOc1ccc(OC)cc1
InChIInChI=1S/C12H18O3.C2H6/c1-13-9-3-4-10-15-12-7-5-11(14-2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyXHTJAHGTGAPZFO-UHFFFAOYSA-N
XLogP3.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.53
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-(3-methoxypropoxy)benzene
CID 143283206
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-methoxy-4-tetradecoxybenzene
CID 91712423
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(4-methoxybutoxy)benzene?
The IUPAC name of ethane;1-methoxy-4-(4-methoxybutoxy)benzene (CID 143283261) is ethane;1-methoxy-4-(4-methoxybutoxy)benzene.
What is the SMILES notation for ethane;1-methoxy-4-(4-methoxybutoxy)benzene?
The canonical SMILES for ethane;1-methoxy-4-(4-methoxybutoxy)benzene is CC.COCCCCOc1ccc(OC)cc1.
What is the InChIKey of ethane;1-methoxy-4-(4-methoxybutoxy)benzene?
The InChIKey is XHTJAHGTGAPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H6/c1-13-9-3-4-10-15-12-7-5-11(14-2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-(4-methoxybutoxy)benzene?
ethane;1-methoxy-4-(4-methoxybutoxy)benzene has a molecular weight of 240.34 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(4-methoxybutoxy)benzene is sourced from PubChem (CID 143283261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).