(4-acetylphenyl) 2-propoxyethyl carbonate

C14H18O5 — CID 156748623

IUPAC(4-acetylphenyl) 2-propoxyethyl carbonate
SMILESCCCOCCOC(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18O5/c1-3-8-17-9-10-18-14(16)19-13-6-4-12(5-7-13)11(2)15/h4-7H,3,8-10H2,1-2H3
InChIKeyZZPCTAISTLXWNF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.83
Rot. Bonds7

About (4-acetylphenyl) 2-propoxyethyl carbonate

(4-acetylphenyl) 2-propoxyethyl carbonate (PubChem CID 156748623) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (4-acetylphenyl) 2-propoxyethyl carbonate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-propoxyethyl carbonate
PubChem CID156748623
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(4-acetylphenyl) 2-propoxyethyl carbonate
SMILESCCCOCCOC(=O)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18O5/c1-3-8-17-9-10-18-14(16)19-13-6-4-12(5-7-13)11(2)15/h4-7H,3,8-10H2,1-2H3
InChIKeyZZPCTAISTLXWNF-UHFFFAOYSA-N
XLogP2.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propoxyethoxycarbonyloxy)benzoic acid
CID 170391078
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
4-dodecoxycarbonyloxybenzoic acid
CID 54565697
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
4-nonoxycarbonyloxybenzoic acid;hydrochloride
CID 67933333
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
butyl (4-decylphenyl) carbonate
CID 118690266
(4-acetylphenyl) carbamate;ethane
CID 163253714
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
(4-nonylphenyl) 4-octoxycarbonyloxybenzoate
CID 14298165

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-propoxyethyl carbonate?
The IUPAC name of (4-acetylphenyl) 2-propoxyethyl carbonate (CID 156748623) is (4-acetylphenyl) 2-propoxyethyl carbonate.
What is the SMILES notation for (4-acetylphenyl) 2-propoxyethyl carbonate?
The canonical SMILES for (4-acetylphenyl) 2-propoxyethyl carbonate is CCCOCCOC(=O)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl) 2-propoxyethyl carbonate?
The InChIKey is ZZPCTAISTLXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-8-17-9-10-18-14(16)19-13-6-4-12(5-7-13)11(2)15/h4-7H,3,8-10H2,1-2H3.
What are the key properties of (4-acetylphenyl) 2-propoxyethyl carbonate?
(4-acetylphenyl) 2-propoxyethyl carbonate has a molecular weight of 266.29 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-propoxyethyl carbonate is sourced from PubChem (CID 156748623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).