(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate

C11H12O4 — CID 123620934

IUPAC(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)OCC2O
InChIInChI=1S/C11H12O4/c1-7(12)14-5-8-2-3-9-10(13)6-15-11(9)4-8/h2-4,10,13H,5-6H2,1H3
InChIKeyJOTQOVLRCGCLQN-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.18
Rot. Bonds2

About (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate

(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate (PubChem CID 123620934) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate.

Molecular Properties

Compound Name(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate
PubChem CID123620934
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)OCC2O
InChIInChI=1S/C11H12O4/c1-7(12)14-5-8-2-3-9-10(13)6-15-11(9)4-8/h2-4,10,13H,5-6H2,1H3
InChIKeyJOTQOVLRCGCLQN-UHFFFAOYSA-N
XLogP1.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
6-fluoro-2,3-dihydro-1-benzofuran-3-ol
CID 79982529
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
(9-acetyl-9H-fluoren-3-yl)methyl acetate
CID 143174369
2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-1-morpholin-4-ylethanone
CID 63096969

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate?
The IUPAC name of (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate (CID 123620934) is (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate.
What is the SMILES notation for (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate?
The canonical SMILES for (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate is CC(=O)OCc1ccc2c(c1)OCC2O.
What is the InChIKey of (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate?
The InChIKey is JOTQOVLRCGCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)14-5-8-2-3-9-10(13)6-15-11(9)4-8/h2-4,10,13H,5-6H2,1H3.
What are the key properties of (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate?
(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate has a molecular weight of 208.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate is sourced from PubChem (CID 123620934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).