carbonic acid;propyl 2-propoxybenzoate

C14H20O6 — CID 69345278

IUPACcarbonic acid;propyl 2-propoxybenzoate
SMILESCCCOC(=O)c1ccccc1OCCC.O=C(O)O
InChIInChI=1S/C13H18O3.CH2O3/c1-3-9-15-12-8-6-5-7-11(12)13(14)16-10-4-2;2-1(3)4/h5-8H,3-4,9-10H2,1-2H3;(H2,2,3,4)
InChIKeySWOMHNKYMIZCSB-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.26
Rot. Bonds6

About carbonic acid;propyl 2-propoxybenzoate

carbonic acid;propyl 2-propoxybenzoate (PubChem CID 69345278) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is carbonic acid;propyl 2-propoxybenzoate.

Molecular Properties

Compound Namecarbonic acid;propyl 2-propoxybenzoate
PubChem CID69345278
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Namecarbonic acid;propyl 2-propoxybenzoate
SMILESCCCOC(=O)c1ccccc1OCCC.O=C(O)O
InChIInChI=1S/C13H18O3.CH2O3/c1-3-9-15-12-8-6-5-7-11(12)13(14)16-10-4-2;2-1(3)4/h5-8H,3-4,9-10H2,1-2H3;(H2,2,3,4)
InChIKeySWOMHNKYMIZCSB-UHFFFAOYSA-N
XLogP3.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pentyl 2-propoxybenzoate
CID 70564677
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
hexyl 2-butoxybenzoate
CID 70562326
2-phenylethyl 2-butoxybenzoate
CID 141306389
propyl 2-propan-2-yloxybenzoate
CID 82186328
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-butoxybenzoic acid;carbonic acid
CID 137455653

Frequently Asked Questions

What is the IUPAC name of carbonic acid;propyl 2-propoxybenzoate?
The IUPAC name of carbonic acid;propyl 2-propoxybenzoate (CID 69345278) is carbonic acid;propyl 2-propoxybenzoate.
What is the SMILES notation for carbonic acid;propyl 2-propoxybenzoate?
The canonical SMILES for carbonic acid;propyl 2-propoxybenzoate is CCCOC(=O)c1ccccc1OCCC.O=C(O)O.
What is the InChIKey of carbonic acid;propyl 2-propoxybenzoate?
The InChIKey is SWOMHNKYMIZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.CH2O3/c1-3-9-15-12-8-6-5-7-11(12)13(14)16-10-4-2;2-1(3)4/h5-8H,3-4,9-10H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;propyl 2-propoxybenzoate?
carbonic acid;propyl 2-propoxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;propyl 2-propoxybenzoate is sourced from PubChem (CID 69345278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).