1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene

C19H32O2 — CID 123645301

IUPAC1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
SMILESCCCCC(CC)CCC(C)OCc1ccc(OC)cc1
InChIInChI=1S/C19H32O2/c1-5-7-8-17(6-2)10-9-16(3)21-15-18-11-13-19(20-4)14-12-18/h11-14,16-17H,5-10,15H2,1-4H3
InChIKeyHGGUREYDTQXWRX-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.60
Rot. Bonds11

About 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene

1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene (PubChem CID 123645301) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
PubChem CID123645301
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
SMILESCCCCC(CC)CCC(C)OCc1ccc(OC)cc1
InChIInChI=1S/C19H32O2/c1-5-7-8-17(6-2)10-9-16(3)21-15-18-11-13-19(20-4)14-12-18/h11-14,16-17H,5-10,15H2,1-4H3
InChIKeyHGGUREYDTQXWRX-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425
2-ethylhexyl 3-(4-methoxyphenyl)-2-methylpropanoate
CID 163607999
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
4-ethyl-2-[(4-methoxyphenyl)methyl]octanoic acid
CID 63402034
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene (CID 123645301) is 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene is CCCCC(CC)CCC(C)OCc1ccc(OC)cc1.
What is the InChIKey of 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene?
The InChIKey is HGGUREYDTQXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-5-7-8-17(6-2)10-9-16(3)21-15-18-11-13-19(20-4)14-12-18/h11-14,16-17H,5-10,15H2,1-4H3.
What are the key properties of 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene?
1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene has a molecular weight of 292.46 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene is sourced from PubChem (CID 123645301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).