[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone

C19H18O4 — CID 59496794

IUPAC[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone
SMILESO=C(c1cc(O)cc(-c2ccc3c(c2)OCO3)c1)C1CCCC1
InChIInChI=1S/C19H18O4/c20-16-8-14(13-5-6-17-18(10-13)23-11-22-17)7-15(9-16)19(21)12-3-1-2-4-12/h5-10,12,20H,1-4,11H2
InChIKeyXHTRYDCJYAMFHM-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.16
Rot. Bonds3

About [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone

[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone (PubChem CID 59496794) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone
PubChem CID59496794
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone
SMILESO=C(c1cc(O)cc(-c2ccc3c(c2)OCO3)c1)C1CCCC1
InChIInChI=1S/C19H18O4/c20-16-8-14(13-5-6-17-18(10-13)23-11-22-17)7-15(9-16)19(21)12-3-1-2-4-12/h5-10,12,20H,1-4,11H2
InChIKeyXHTRYDCJYAMFHM-UHFFFAOYSA-N
XLogP4.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid
CID 53226204
(E)-3-(1,3-benzodioxol-5-yl)-3-cyclopentylprop-2-enoic acid
CID 82301465
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-cyclopentylmethanone
CID 59011455
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2-(1,3-benzodioxol-5-yl)-3-cyclopentyl-3-oxopropanenitrile
CID 43334684
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
[(3R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 26316620

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone?
The IUPAC name of [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone (CID 59496794) is [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone?
The canonical SMILES for [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone is O=C(c1cc(O)cc(-c2ccc3c(c2)OCO3)c1)C1CCCC1.
What is the InChIKey of [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone?
The InChIKey is XHTRYDCJYAMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-16-8-14(13-5-6-17-18(10-13)23-11-22-17)7-15(9-16)19(21)12-3-1-2-4-12/h5-10,12,20H,1-4,11H2.
What are the key properties of [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone?
[3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone has a molecular weight of 310.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yl)-5-hydroxyphenyl]-cyclopentylmethanone is sourced from PubChem (CID 59496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).