2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol

C14H10Cl2O2 — CID 107663413

IUPAC2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
SMILESOc1cc(Cl)c(-c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C14H10Cl2O2/c15-11-7-13(17)12(16)6-10(11)8-1-2-14-9(5-8)3-4-18-14/h1-2,5-7,17H,3-4H2
InChIKeyURNLHXPEDASYBB-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.30
Rot. Bonds1

About 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol

2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol (PubChem CID 107663413) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
PubChem CID107663413
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
SMILESOc1cc(Cl)c(-c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C14H10Cl2O2/c15-11-7-13(17)12(16)6-10(11)8-1-2-14-9(5-8)3-4-18-14/h1-2,5-7,17H,3-4H2
InChIKeyURNLHXPEDASYBB-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
CID 107663305
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenol
CID 104707410
5-chloro-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878337
4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline
CID 159079580

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol?
The IUPAC name of 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol (CID 107663413) is 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol?
The canonical SMILES for 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol is Oc1cc(Cl)c(-c2ccc3c(c2)CCO3)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol?
The InChIKey is URNLHXPEDASYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-7-13(17)12(16)6-10(11)8-1-2-14-9(5-8)3-4-18-14/h1-2,5-7,17H,3-4H2.
What are the key properties of 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol?
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol has a molecular weight of 281.14 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol is sourced from PubChem (CID 107663413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).