1-(1-ethoxypentyl)-2-methoxybenzene

C14H22O2 — CID 141341766

IUPAC1-(1-ethoxypentyl)-2-methoxybenzene
SMILESCCCCC(OCC)c1ccccc1OC
InChIInChI=1S/C14H22O2/c1-4-6-10-14(16-5-2)12-9-7-8-11-13(12)15-3/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyNFINPXGJSALBET-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.96
Rot. Bonds7

About 1-(1-ethoxypentyl)-2-methoxybenzene

1-(1-ethoxypentyl)-2-methoxybenzene (PubChem CID 141341766) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-ethoxypentyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-ethoxypentyl)-2-methoxybenzene
PubChem CID141341766
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(1-ethoxypentyl)-2-methoxybenzene
SMILESCCCCC(OCC)c1ccccc1OC
InChIInChI=1S/C14H22O2/c1-4-6-10-14(16-5-2)12-9-7-8-11-13(12)15-3/h7-9,11,14H,4-6,10H2,1-3H3
InChIKeyNFINPXGJSALBET-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
CID 114773706
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
1-(2-iodo-1-octoxyethyl)-2-methoxybenzene
CID 114773562
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-ethoxydecylbenzene
CID 71423896
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
[(1S)-1-(2-methoxyphenyl)hexyl] N,N-di(propan-2-yl)carbamate
CID 101176545
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypentyl)-2-methoxybenzene?
The IUPAC name of 1-(1-ethoxypentyl)-2-methoxybenzene (CID 141341766) is 1-(1-ethoxypentyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-ethoxypentyl)-2-methoxybenzene?
The canonical SMILES for 1-(1-ethoxypentyl)-2-methoxybenzene is CCCCC(OCC)c1ccccc1OC.
What is the InChIKey of 1-(1-ethoxypentyl)-2-methoxybenzene?
The InChIKey is NFINPXGJSALBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-6-10-14(16-5-2)12-9-7-8-11-13(12)15-3/h7-9,11,14H,4-6,10H2,1-3H3.
What are the key properties of 1-(1-ethoxypentyl)-2-methoxybenzene?
1-(1-ethoxypentyl)-2-methoxybenzene has a molecular weight of 222.33 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypentyl)-2-methoxybenzene is sourced from PubChem (CID 141341766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).