2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone

C14H20O3 — CID 115785301

IUPAC2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
SMILESCCCOc1cccc(C(=O)COC(C)C)c1
InChIInChI=1S/C14H20O3/c1-4-8-16-13-7-5-6-12(9-13)14(15)10-17-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyBRHULOCOBVNMFP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds7

About 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone

2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone (PubChem CID 115785301) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
PubChem CID115785301
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
SMILESCCCOc1cccc(C(=O)COC(C)C)c1
InChIInChI=1S/C14H20O3/c1-4-8-16-13-7-5-6-12(9-13)14(15)10-17-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3
InChIKeyBRHULOCOBVNMFP-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-propoxybenzoate
CID 60979538
methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate
CID 62495797
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
3-propoxybenzamide
CID 22311435
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
acetyl 3-propoxybenzoate
CID 54339605
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-bromo-1-(3-butoxyphenyl)ethanone
CID 22121403
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone?
The IUPAC name of 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone (CID 115785301) is 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone is CCCOc1cccc(C(=O)COC(C)C)c1.
What is the InChIKey of 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone?
The InChIKey is BRHULOCOBVNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-8-16-13-7-5-6-12(9-13)14(15)10-17-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3.
What are the key properties of 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone?
2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone is sourced from PubChem (CID 115785301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).