(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol

C9H11NO2 — CID 130738460

IUPAC(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1c(O)ccc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO2/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-3,7,11H,4,10H2,1H3/t7-/m1/s1
InChIKeyQBZSRLLYAVKOGX-SSDOTTSWSA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds

About (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol

(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 130738460) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
PubChem CID130738460
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1c(O)ccc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO2/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-3,7,11H,4,10H2,1H3/t7-/m1/s1
InChIKeyQBZSRLLYAVKOGX-SSDOTTSWSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
3-amino-7-nitro-2,3-dihydro-1-benzofuran-6-ol
CID 55268871
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 130992672
7-methyl-2,3-dihydrofuro[2,3-c]pyridin-3-amine
CID 86721908
(3S)-3-amino-2,3-dihydro-1-benzofuran-7-thiol
CID 55294351
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3,6-diamine
CID 55293145
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130739663
3,6-diamino-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 55296349
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(3S)-3-amino-4-methylsulfanyl-2,3-dihydro-1-benzofuran-7-ol
CID 131081610

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol (CID 130738460) is (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol is Cc1c(O)ccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QBZSRLLYAVKOGX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-8(11)3-2-6-7(10)4-12-9(5)6/h2-3,7,11H,4,10H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 165.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 130738460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).