1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene

C16H26O — CID 163377100

IUPAC1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
SMILESCOc1ccc(CCCC(C)C)cc1C(C)C
InChIInChI=1S/C16H26O/c1-12(2)7-6-8-14-9-10-16(17-5)15(11-14)13(3)4/h9-13H,6-8H2,1-5H3
InChIKeySQSTUBVTMZCUEJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.80
Rot. Bonds6

About 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene

1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene (PubChem CID 163377100) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
PubChem CID163377100
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
SMILESCOc1ccc(CCCC(C)C)cc1C(C)C
InChIInChI=1S/C16H26O/c1-12(2)7-6-8-14-9-10-16(17-5)15(11-14)13(3)4/h9-13H,6-8H2,1-5H3
InChIKeySQSTUBVTMZCUEJ-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195968
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
2-methoxy-4-(4-methylpentyl)-1-nitrobenzene
CID 160677686
2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
CID 112519352

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene (CID 163377100) is 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene is COc1ccc(CCCC(C)C)cc1C(C)C.
What is the InChIKey of 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene?
The InChIKey is SQSTUBVTMZCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12(2)7-6-8-14-9-10-16(17-5)15(11-14)13(3)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene?
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 163377100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).