2-hexoxy-1-methyl-4-propan-2-ylbenzene

C16H26O — CID 81004927

IUPAC2-hexoxy-1-methyl-4-propan-2-ylbenzene
SMILESCCCCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-5-6-7-8-11-17-16-12-15(13(2)3)10-9-14(16)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyGHYDAQHIUORANC-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.08
Rot. Bonds7

About 2-hexoxy-1-methyl-4-propan-2-ylbenzene

2-hexoxy-1-methyl-4-propan-2-ylbenzene (PubChem CID 81004927) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-hexoxy-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-hexoxy-1-methyl-4-propan-2-ylbenzene
PubChem CID81004927
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-hexoxy-1-methyl-4-propan-2-ylbenzene
SMILESCCCCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-5-6-7-8-11-17-16-12-15(13(2)3)10-9-14(16)4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyGHYDAQHIUORANC-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
CID 67918317
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
3-hexadecoxy-4-methylaniline
CID 57081496

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-hexoxy-1-methyl-4-propan-2-ylbenzene (CID 81004927) is 2-hexoxy-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-hexoxy-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-hexoxy-1-methyl-4-propan-2-ylbenzene is CCCCCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-hexoxy-1-methyl-4-propan-2-ylbenzene?
The InChIKey is GHYDAQHIUORANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-7-8-11-17-16-12-15(13(2)3)10-9-14(16)4/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 2-hexoxy-1-methyl-4-propan-2-ylbenzene?
2-hexoxy-1-methyl-4-propan-2-ylbenzene has a molecular weight of 234.38 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 81004927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).