(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol

C8H7ClO2 — CID 86339090

IUPAC(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
SMILESO[C@H]1OCc2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,8,10H,4H2/t8-/m0/s1
InChIKeyJUNJSGGYQNAEMA-QMMMGPOBSA-N
MW170.59 g/mol
LogP1.86
Rot. Bonds

About (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol

(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 86339090) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
PubChem CID86339090
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
SMILESO[C@H]1OCc2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,8,10H,4H2/t8-/m0/s1
InChIKeyJUNJSGGYQNAEMA-QMMMGPOBSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339091
2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)ethanol
CID 69306515
(6-chloro-4H-1,3-benzodioxin-2-yl)methanol
CID 115062747
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909
(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 177205675
(1R,2R)-2-amino-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600882
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
CID 66993056
(6-chloro-4H-1,3-benzodioxin-2-yl)methanamine
CID 115062690
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
CID 79002138
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
3-(6-chloro-4H-1,3-benzodioxin-2-yl)propanoic acid
CID 115062714

Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol (CID 86339090) is (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol is O[C@H]1OCc2cc(Cl)ccc21.
What is the InChIKey of (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is JUNJSGGYQNAEMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,8,10H,4H2/t8-/m0/s1.
What are the key properties of (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol?
(1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 170.59 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 86339090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).