[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate

C16H14O5 — CID 174463979

IUPAC[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
SMILESCCOc1ccccc1C(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C16H14O5/c1-2-20-13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)21-16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJOIORHMGVVRUJL-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.37
Rot. Bonds5

About [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate

[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate (PubChem CID 174463979) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
PubChem CID174463979
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
SMILESCCOc1ccccc1C(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C16H14O5/c1-2-20-13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)21-16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyJOIORHMGVVRUJL-UHFFFAOYSA-N
XLogP3.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzoic acid;zinc
CID 172723273
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
(2-ethoxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 63749253
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate?
The IUPAC name of [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate (CID 174463979) is [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate?
The canonical SMILES for [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate is CCOc1ccccc1C(=O)c1ccccc1OC(=O)O.
What is the InChIKey of [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate?
The InChIKey is JOIORHMGVVRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-2-20-13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)21-16(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate?
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate has a molecular weight of 286.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 174463979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).