(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol

C15H13ClO3 — CID 114723599

IUPAC(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)o1
InChIInChI=1S/C15H13ClO3/c1-2-11-4-6-13(18-11)15(17)14-8-9-7-10(16)3-5-12(9)19-14/h3-8,15,17H,2H2,1H3
InChIKeyMQOXNLNUOPLVEZ-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.32
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol (PubChem CID 114723599) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
PubChem CID114723599
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)o1
InChIInChI=1S/C15H13ClO3/c1-2-11-4-6-13(18-11)15(17)14-8-9-7-10(16)3-5-12(9)19-14/h3-8,15,17H,2H2,1H3
InChIKeyMQOXNLNUOPLVEZ-UHFFFAOYSA-N
XLogP4.32
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol (CID 114723599) is (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol?
The InChIKey is MQOXNLNUOPLVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-2-11-4-6-13(18-11)15(17)14-8-9-7-10(16)3-5-12(9)19-14/h3-8,15,17H,2H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol has a molecular weight of 276.72 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol is sourced from PubChem (CID 114723599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).