2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde

C10H9ClO3 — CID 83885874

IUPAC2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1cc(Cl)c2c(c1O)OCC2
InChIInChI=1S/C10H9ClO3/c11-8-5-6(1-3-12)9(13)10-7(8)2-4-14-10/h3,5,13H,1-2,4H2
InChIKeyPOEVABPELAXAFH-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.72
Rot. Bonds2

About 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde

2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde (PubChem CID 83885874) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
PubChem CID83885874
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1cc(Cl)c2c(c1O)OCC2
InChIInChI=1S/C10H9ClO3/c11-8-5-6(1-3-12)9(13)10-7(8)2-4-14-10/h3,5,13H,1-2,4H2
InChIKeyPOEVABPELAXAFH-UHFFFAOYSA-N
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
CID 165122996
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanesulfonyl chloride
CID 117469726
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
CID 59299255
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
3-(7-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)butanal
CID 117394946
7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-ol
CID 67107270
2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde
CID 83885197
4-(2-phenylethyl)-2,3-dihydro-1-benzofuran-6,7-diol
CID 154572929
3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
CID 117300834

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The IUPAC name of 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde (CID 83885874) is 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde is O=CCc1cc(Cl)c2c(c1O)OCC2.
What is the InChIKey of 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The InChIKey is POEVABPELAXAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-5-6(1-3-12)9(13)10-7(8)2-4-14-10/h3,5,13H,1-2,4H2.
What are the key properties of 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde has a molecular weight of 212.63 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde is sourced from PubChem (CID 83885874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).