1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone

C16H14O4 — CID 43338385

IUPAC1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14O4/c1-2-18-13-6-3-11(4-7-13)16(17)12-5-8-14-15(9-12)20-10-19-14/h3-9H,2,10H2,1H3
InChIKeyXXJRSDWPOILJIZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.05
Rot. Bonds4

About 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone

1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone (PubChem CID 43338385) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
PubChem CID43338385
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H14O4/c1-2-18-13-6-3-11(4-7-13)16(17)12-5-8-14-15(9-12)20-10-19-14/h3-9H,2,10H2,1H3
InChIKeyXXJRSDWPOILJIZ-UHFFFAOYSA-N
XLogP3.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877
(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587932
1,3-benzodioxol-5-yl-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077448
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 3552589
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326283
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
1,3-benzodioxol-5-yl 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 3539693

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone (CID 43338385) is 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone?
The InChIKey is XXJRSDWPOILJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-2-18-13-6-3-11(4-7-13)16(17)12-5-8-14-15(9-12)20-10-19-14/h3-9H,2,10H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone?
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone has a molecular weight of 270.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 43338385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).