ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne

C16H26O — CID 142112207

IUPACethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
SMILESC#CC.CC.CCCc1ccc(OC)c(C)c1
InChIInChI=1S/C11H16O.C3H4.C2H6/c1-4-5-10-6-7-11(12-3)9(2)8-10;1-3-2;1-2/h6-8H,4-5H2,1-3H3;1H,2H3;1-2H3
InChIKeySFVIJSFSNVYHEE-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.62
Rot. Bonds3

About ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne

ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne (PubChem CID 142112207) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne.

Molecular Properties

Compound Nameethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
PubChem CID142112207
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Nameethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
SMILESC#CC.CC.CCCc1ccc(OC)c(C)c1
InChIInChI=1S/C11H16O.C3H4.C2H6/c1-4-5-10-6-7-11(12-3)9(2)8-10;1-3-2;1-2/h6-8H,4-5H2,1-3H3;1H,2H3;1-2H3
InChIKeySFVIJSFSNVYHEE-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
1-(4-bromobutoxy)-2-methyl-4-propylbenzene
CID 22367705
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
ethane;2-methoxy-4-propylphenol
CID 144852330
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
N-[(4-methoxy-3-methylphenyl)methyl]pent-1-yn-3-amine
CID 106225233
ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne?
The IUPAC name of ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne (CID 142112207) is ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne.
What is the SMILES notation for ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne?
The canonical SMILES for ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne is C#CC.CC.CCCc1ccc(OC)c(C)c1.
What is the InChIKey of ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne?
The InChIKey is SFVIJSFSNVYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C3H4.C2H6/c1-4-5-10-6-7-11(12-3)9(2)8-10;1-3-2;1-2/h6-8H,4-5H2,1-3H3;1H,2H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne?
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne has a molecular weight of 234.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne is sourced from PubChem (CID 142112207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).