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

C9H11NO3 — CID 55295344

IUPAC(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1c(O)ccc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO3/c1-12-9-7(11)3-2-5-6(10)4-13-8(5)9/h2-3,6,11H,4,10H2,1H3/t6-/m1/s1
InChIKeyVXDQDOCHULAKQS-ZCFIWIBFSA-N
MW181.19 g/mol
LogP0.79
Rot. Bonds1

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

(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 55295344) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
PubChem CID55295344
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1c(O)ccc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO3/c1-12-9-7(11)3-2-5-6(10)4-13-8(5)9/h2-3,6,11H,4,10H2,1H3/t6-/m1/s1
InChIKeyVXDQDOCHULAKQS-ZCFIWIBFSA-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

3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131075554
3-amino-7-nitro-2,3-dihydro-1-benzofuran-6-ol
CID 55268871
3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
CID 5326313
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol
CID 150683740
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131145304

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol (CID 55295344) is (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol is COc1c(O)ccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is VXDQDOCHULAKQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-9-7(11)3-2-5-6(10)4-13-8(5)9/h2-3,6,11H,4,10H2,1H3/t6-/m1/s1.
What are the key properties of (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol?
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-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 (3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 55295344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).