2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone

C14H18O3 — CID 66570608

IUPAC2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CC2OCCO2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(15)10-14-16-8-9-17-14/h4-7,14H,2-3,8-10H2,1H3
InChIKeyHDMMOLQXTOMNAQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.58
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone (PubChem CID 66570608) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
PubChem CID66570608
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CC2OCCO2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(15)10-14-16-8-9-17-14/h4-7,14H,2-3,8-10H2,1H3
InChIKeyHDMMOLQXTOMNAQ-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570596
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethanone
CID 79326641
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone
CID 54503846
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
4-[3-(1,3-dioxolan-2-yl)propyl]benzoic acid
CID 23468115
(2-ethyloxolan-3-yl)-(4-propylphenyl)methanone
CID 114105377
1-(4-propylphenyl)decan-1-one
CID 65449493

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone (CID 66570608) is 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CC2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone?
The InChIKey is HDMMOLQXTOMNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-3-11-4-6-12(7-5-11)13(15)10-14-16-8-9-17-14/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone has a molecular weight of 234.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 66570608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).