1-methyl-4-(7-methylnonan-4-yloxy)benzene

C17H28O — CID 143395480

IUPAC1-methyl-4-(7-methylnonan-4-yloxy)benzene
SMILESCCCC(CCC(C)CC)Oc1ccc(C)cc1
InChIInChI=1S/C17H28O/c1-5-7-16(11-8-14(3)6-2)18-17-12-9-15(4)10-13-17/h9-10,12-14,16H,5-8,11H2,1-4H3
InChIKeyVNZUEDXAUWAXED-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.37
Rot. Bonds8

About 1-methyl-4-(7-methylnonan-4-yloxy)benzene

1-methyl-4-(7-methylnonan-4-yloxy)benzene (PubChem CID 143395480) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-methyl-4-(7-methylnonan-4-yloxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(7-methylnonan-4-yloxy)benzene
PubChem CID143395480
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-methyl-4-(7-methylnonan-4-yloxy)benzene
SMILESCCCC(CCC(C)CC)Oc1ccc(C)cc1
InChIInChI=1S/C17H28O/c1-5-7-16(11-8-14(3)6-2)18-17-12-9-15(4)10-13-17/h9-10,12-14,16H,5-8,11H2,1-4H3
InChIKeyVNZUEDXAUWAXED-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-(7-methylnonan-4-yloxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-heptan-4-yloxybenzene
CID 142490419
2-(7-methylnonan-4-yloxy)pyrimidine
CID 57042354
butane;3-methyloctane;1,4-xylene
CID 144940276
ethane;4-hexan-3-yloxybenzonitrile
CID 143097609
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
butane-1,1-diol;1-methyl-4-(4-methylphenoxy)benzene
CID 70420905
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
5-(4-heptan-4-yloxyphenyl)-N,N,2-trimethylaniline
CID 176968347
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methylnonan-4-yloxy)benzene?
The IUPAC name of 1-methyl-4-(7-methylnonan-4-yloxy)benzene (CID 143395480) is 1-methyl-4-(7-methylnonan-4-yloxy)benzene.
What is the SMILES notation for 1-methyl-4-(7-methylnonan-4-yloxy)benzene?
The canonical SMILES for 1-methyl-4-(7-methylnonan-4-yloxy)benzene is CCCC(CCC(C)CC)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(7-methylnonan-4-yloxy)benzene?
The InChIKey is VNZUEDXAUWAXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-7-16(11-8-14(3)6-2)18-17-12-9-15(4)10-13-17/h9-10,12-14,16H,5-8,11H2,1-4H3.
What are the key properties of 1-methyl-4-(7-methylnonan-4-yloxy)benzene?
1-methyl-4-(7-methylnonan-4-yloxy)benzene has a molecular weight of 248.41 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methylnonan-4-yloxy)benzene is sourced from PubChem (CID 143395480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).