2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone

C19H30O2 — CID 43800065

IUPAC2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCCCC(C)OCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H30O2/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16H,5-9,14H2,1-4H3
InChIKeyJFHZCVWOSRCMMG-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.37
Rot. Bonds10

About 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone

2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43800065) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43800065
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCCCC(C)OCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H30O2/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16H,5-9,14H2,1-4H3
InChIKeyJFHZCVWOSRCMMG-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-2-octan-2-yloxyethanone
CID 43800020
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
1-(3-bromo-4-methoxyphenyl)-2-octan-2-yloxyethanone
CID 43800057
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43127437
didecan-2-yl benzene-1,4-dicarboxylate
CID 91724696
1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
CID 43800033
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
1-(4-nitrophenyl)-2-pentan-2-yloxyethanone
CID 102982861
1-octan-2-yloxypentan-2-one
CID 62042507
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone (CID 43800065) is 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone is CCCCCCC(C)OCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is JFHZCVWOSRCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-5-6-7-8-9-16(4)21-14-19(20)18-12-10-17(11-13-18)15(2)3/h10-13,15-16H,5-9,14H2,1-4H3.
What are the key properties of 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone?
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 290.45 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43800065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).