3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid

C20H20O5 — CID 174732842

IUPAC3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid
SMILESCCC1(COC(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)COC1
InChIInChI=1S/C20H20O5/c1-2-20(11-24-12-20)13-25-19(23)17-9-15(8-16(10-17)18(21)22)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyYWXDYKQEEOOHGY-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.64
Rot. Bonds6

About 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid

3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid (PubChem CID 174732842) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid.

Molecular Properties

Compound Name3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid
PubChem CID174732842
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid
SMILESCCC1(COC(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)COC1
InChIInChI=1S/C20H20O5/c1-2-20(11-24-12-20)13-25-19(23)17-9-15(8-16(10-17)18(21)22)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyYWXDYKQEEOOHGY-UHFFFAOYSA-N
XLogP3.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid?
The IUPAC name of 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid (CID 174732842) is 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid.
What is the SMILES notation for 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid?
The canonical SMILES for 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid is CCC1(COC(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)COC1.
What is the InChIKey of 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid?
The InChIKey is YWXDYKQEEOOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-2-20(11-24-12-20)13-25-19(23)17-9-15(8-16(10-17)18(21)22)14-6-4-3-5-7-14/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid?
3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyloxetan-3-yl)methoxycarbonyl]-5-phenylbenzoic acid is sourced from PubChem (CID 174732842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).