(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone

C16H22O2 — CID 114105377

IUPAC(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CCOC2CC)cc1
InChIInChI=1S/C16H22O2/c1-3-5-12-6-8-13(9-7-12)16(17)14-10-11-18-15(14)4-2/h6-9,14-15H,3-5,10-11H2,1-2H3
InChIKeyRHUZIVZRLSSFDA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.64
Rot. Bonds5

About (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone

(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone (PubChem CID 114105377) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone
PubChem CID114105377
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2CCOC2CC)cc1
InChIInChI=1S/C16H22O2/c1-3-5-12-6-8-13(9-7-12)16(17)14-10-11-18-15(14)4-2/h6-9,14-15H,3-5,10-11H2,1-2H3
InChIKeyRHUZIVZRLSSFDA-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-ethyloxolane-3-carbonyl)phenyl]-N-methylformamide
CID 114105392
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
CID 114512492
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
azetidin-3-yl-(4-propylphenyl)methanone
CID 116583611
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
(3-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 115812017

Frequently Asked Questions

What is the IUPAC name of (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone?
The IUPAC name of (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone (CID 114105377) is (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)C2CCOC2CC)cc1.
What is the InChIKey of (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone?
The InChIKey is RHUZIVZRLSSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-5-12-6-8-13(9-7-12)16(17)14-10-11-18-15(14)4-2/h6-9,14-15H,3-5,10-11H2,1-2H3.
What are the key properties of (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone?
(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxolan-3-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 114105377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).