1-methoxy-4-nonan-5-ylbenzene

C16H26O — CID 14937032

IUPAC1-methoxy-4-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(OC)cc1
InChIInChI=1S/C16H26O/c1-4-6-8-14(9-7-5-2)15-10-12-16(17-3)13-11-15/h10-14H,4-9H2,1-3H3
InChIKeyUJHSISJDQFLKPL-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.16
Rot. Bonds8

About 1-methoxy-4-nonan-5-ylbenzene

1-methoxy-4-nonan-5-ylbenzene (PubChem CID 14937032) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-4-nonan-5-ylbenzene.

Molecular Properties

Compound Name1-methoxy-4-nonan-5-ylbenzene
PubChem CID14937032
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-methoxy-4-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(OC)cc1
InChIInChI=1S/C16H26O/c1-4-6-8-14(9-7-5-2)15-10-12-16(17-3)13-11-15/h10-14H,4-9H2,1-3H3
InChIKeyUJHSISJDQFLKPL-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-methoxy-4-(2-methylheptan-3-yl)benzene
CID 54213021
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(3S)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)heptan-1-one
CID 101470095
6-(4-methoxyphenyl)hexadecan-8-one
CID 132549472
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-(4-methoxyphenyl)-5-phenylnonanimidamide
CID 173345917
2-(4-methoxyphenyl)hexanoate
CID 19815864

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-nonan-5-ylbenzene?
The IUPAC name of 1-methoxy-4-nonan-5-ylbenzene (CID 14937032) is 1-methoxy-4-nonan-5-ylbenzene.
What is the SMILES notation for 1-methoxy-4-nonan-5-ylbenzene?
The canonical SMILES for 1-methoxy-4-nonan-5-ylbenzene is CCCCC(CCCC)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-nonan-5-ylbenzene?
The InChIKey is UJHSISJDQFLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-6-8-14(9-7-5-2)15-10-12-16(17-3)13-11-15/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-4-nonan-5-ylbenzene?
1-methoxy-4-nonan-5-ylbenzene has a molecular weight of 234.38 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-nonan-5-ylbenzene is sourced from PubChem (CID 14937032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).