(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one

C12H12O3 — CID 102365690

IUPAC(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
SMILESO=C1CCc2c1ccc1c2C[C@H](CO)O1
InChIInChI=1S/C12H12O3/c13-6-7-5-10-8-1-3-11(14)9(8)2-4-12(10)15-7/h2,4,7,13H,1,3,5-6H2/t7-/m1/s1
InChIKeyFYNAKESGMFCWDL-SSDOTTSWSA-N
MW204.22 g/mol
LogP1.11
Rot. Bonds1

About (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one

(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one (PubChem CID 102365690) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
PubChem CID102365690
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
SMILESO=C1CCc2c1ccc1c2C[C@H](CO)O1
InChIInChI=1S/C12H12O3/c13-6-7-5-10-8-1-3-11(14)9(8)2-4-12(10)15-7/h2,4,7,13H,1,3,5-6H2/t7-/m1/s1
InChIKeyFYNAKESGMFCWDL-SSDOTTSWSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795
3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
8-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
CID 163780921
2-(4-chlorophenyl)-8-(hydroxymethyl)-3-methyl-8,9-dihydrofuro[2,3-h]chromen-4-one
CID 11110661
[(2R)-5-bromo-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 86326706
5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 138106165
1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
CID 129011355
(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one
CID 130660381
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-8-yl)methanol
CID 67222672
2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol
CID 68583650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one (CID 102365690) is (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one is O=C1CCc2c1ccc1c2C[C@H](CO)O1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
The InChIKey is FYNAKESGMFCWDL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12O3/c13-6-7-5-10-8-1-3-11(14)9(8)2-4-12(10)15-7/h2,4,7,13H,1,3,5-6H2/t7-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one?
(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one has a molecular weight of 204.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one is sourced from PubChem (CID 102365690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).