(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol

C9H11NO3 — CID 130665432

IUPAC(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1c(O)ccc2c1[C@@H](N)CO2
InChIInChI=1S/C9H11NO3/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-3,5,11H,4,10H2,1H3/t5-/m0/s1
InChIKeyRRBGOEXCVUGQIA-YFKPBYRVSA-N
MW181.19 g/mol
LogP0.79
Rot. Bonds1

About (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol

(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 130665432) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
PubChem CID130665432
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
SMILESCOc1c(O)ccc2c1[C@@H](N)CO2
InChIInChI=1S/C9H11NO3/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-3,5,11H,4,10H2,1H3/t5-/m0/s1
InChIKeyRRBGOEXCVUGQIA-YFKPBYRVSA-N
XLogP0.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(3R)-3-amino-5-methoxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130707445
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 131165587
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
(3S)-3-amino-4-methylsulfanyl-2,3-dihydro-1-benzofuran-7-ol
CID 131081610
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130625417
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130673906

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol (CID 130665432) is (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol is COc1c(O)ccc2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is RRBGOEXCVUGQIA-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-9-6(11)2-3-7-8(9)5(10)4-13-7/h2-3,5,11H,4,10H2,1H3/t5-/m0/s1.
What are the key properties of (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol?
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 181.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 130665432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).