2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile

C14H19NO — CID 84785533

IUPAC2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile
SMILESCCc1cc(CC#N)cc(C(C)C)c1OC
InChIInChI=1S/C14H19NO/c1-5-12-8-11(6-7-15)9-13(10(2)3)14(12)16-4/h8-10H,5-6H2,1-4H3
InChIKeyHIQGKYGBSPUFHO-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile

2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile (PubChem CID 84785533) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile
PubChem CID84785533
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile
SMILESCCc1cc(CC#N)cc(C(C)C)c1OC
InChIInChI=1S/C14H19NO/c1-5-12-8-11(6-7-15)9-13(10(2)3)14(12)16-4/h8-10H,5-6H2,1-4H3
InChIKeyHIQGKYGBSPUFHO-UHFFFAOYSA-N
XLogP3.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal
CID 117340941
2-(3,4-dimethoxy-5-propylphenyl)acetonitrile
CID 19838260
2-(4-methoxy-3,5-dimethylphenyl)acetonitrile
CID 45091198
2-(3,5-diiodo-4-methoxyphenyl)acetonitrile
CID 90143526
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
2-(4-methoxy-3,5-dinitrophenyl)acetonitrile
CID 75487655
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282
5-(cyanomethyl)-2,3-dimethoxybenzonitrile
CID 117290768
2-(3-iodo-4,5-dimethoxyphenyl)acetonitrile
CID 15133320
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile (CID 84785533) is 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile is CCc1cc(CC#N)cc(C(C)C)c1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile?
The InChIKey is HIQGKYGBSPUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-12-8-11(6-7-15)9-13(10(2)3)14(12)16-4/h8-10H,5-6H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile?
2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile has a molecular weight of 217.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 84785533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).