1,2-diethoxy-3-pentoxybenzene

C15H24O3 — CID 174527240

IUPAC1,2-diethoxy-3-pentoxybenzene
SMILESCCCCCOc1cccc(OCC)c1OCC
InChIInChI=1S/C15H24O3/c1-4-7-8-12-18-14-11-9-10-13(16-5-2)15(14)17-6-3/h9-11H,4-8,12H2,1-3H3
InChIKeyARICJNNYFUOWOF-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.05
Rot. Bonds9

About 1,2-diethoxy-3-pentoxybenzene

1,2-diethoxy-3-pentoxybenzene (PubChem CID 174527240) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,2-diethoxy-3-pentoxybenzene.

Molecular Properties

Compound Name1,2-diethoxy-3-pentoxybenzene
PubChem CID174527240
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,2-diethoxy-3-pentoxybenzene
SMILESCCCCCOc1cccc(OCC)c1OCC
InChIInChI=1S/C15H24O3/c1-4-7-8-12-18-14-11-9-10-13(16-5-2)15(14)17-6-3/h9-11H,4-8,12H2,1-3H3
InChIKeyARICJNNYFUOWOF-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.05
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

1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
2,3-dipentoxyphenol
CID 57426098
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
5-pentoxynaphthalen-1-ol
CID 67823980
1-decoxyphenanthrene
CID 140993229
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
1,4-didodecoxynaphthalene
CID 21304164
2,6-di(nonoxy)phenol
CID 22024876

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3-pentoxybenzene?
The IUPAC name of 1,2-diethoxy-3-pentoxybenzene (CID 174527240) is 1,2-diethoxy-3-pentoxybenzene.
What is the SMILES notation for 1,2-diethoxy-3-pentoxybenzene?
The canonical SMILES for 1,2-diethoxy-3-pentoxybenzene is CCCCCOc1cccc(OCC)c1OCC.
What is the InChIKey of 1,2-diethoxy-3-pentoxybenzene?
The InChIKey is ARICJNNYFUOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-8-12-18-14-11-9-10-13(16-5-2)15(14)17-6-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 1,2-diethoxy-3-pentoxybenzene?
1,2-diethoxy-3-pentoxybenzene has a molecular weight of 252.35 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3-pentoxybenzene is sourced from PubChem (CID 174527240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).