1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone

C10H12O3 — CID 130150891

IUPAC1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone
SMILESCC(=O)C1c2ccoc2CCC1O
InChIInChI=1S/C10H12O3/c1-6(11)10-7-4-5-13-9(7)3-2-8(10)12/h4-5,8,10,12H,2-3H2,1H3
InChIKeyGNOKMPOJNGPIBO-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.26
Rot. Bonds1

About 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone

1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone (PubChem CID 130150891) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone
PubChem CID130150891
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone
SMILESCC(=O)C1c2ccoc2CCC1O
InChIInChI=1S/C10H12O3/c1-6(11)10-7-4-5-13-9(7)3-2-8(10)12/h4-5,8,10,12H,2-3H2,1H3
InChIKeyGNOKMPOJNGPIBO-UHFFFAOYSA-N
XLogP1.26
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
2-[ethyl(4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]acetic acid
CID 115467449
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 115467483
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
3-methyl-1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidine-3-carboxylic acid
CID 113315450
1-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepane-2-carboxylic acid
CID 113315455
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone (CID 130150891) is 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone is CC(=O)C1c2ccoc2CCC1O.
What is the InChIKey of 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone?
The InChIKey is GNOKMPOJNGPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6(11)10-7-4-5-13-9(7)3-2-8(10)12/h4-5,8,10,12H,2-3H2,1H3.
What are the key properties of 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone?
1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone has a molecular weight of 180.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone is sourced from PubChem (CID 130150891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).