(2-methyloxolan-2-yl)-(3-propylphenyl)methanone

C15H20O2 — CID 116543391

IUPAC(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(C)CCCO2)c1
InChIInChI=1S/C15H20O2/c1-3-6-12-7-4-8-13(11-12)14(16)15(2)9-5-10-17-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyVSLUZMIZPAYWKF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds4

About (2-methyloxolan-2-yl)-(3-propylphenyl)methanone

(2-methyloxolan-2-yl)-(3-propylphenyl)methanone (PubChem CID 116543391) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
PubChem CID116543391
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2(C)CCCO2)c1
InChIInChI=1S/C15H20O2/c1-3-6-12-7-4-8-13(11-12)14(16)15(2)9-5-10-17-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyVSLUZMIZPAYWKF-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 116543351
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
[(2-methyloxolan-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105250921
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyloxolan-2-yl)methanone
CID 107288226

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The IUPAC name of (2-methyloxolan-2-yl)-(3-propylphenyl)methanone (CID 116543391) is (2-methyloxolan-2-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2(C)CCCO2)c1.
What is the InChIKey of (2-methyloxolan-2-yl)-(3-propylphenyl)methanone?
The InChIKey is VSLUZMIZPAYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-6-12-7-4-8-13(11-12)14(16)15(2)9-5-10-17-15/h4,7-8,11H,3,5-6,9-10H2,1-2H3.
What are the key properties of (2-methyloxolan-2-yl)-(3-propylphenyl)methanone?
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116543391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).