(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol

C14H11ClO3 — CID 114724857

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H11ClO3/c1-8-4-5-17-14(8)13(16)12-7-9-6-10(15)2-3-11(9)18-12/h2-7,13,16H,1H3
InChIKeyKCQFXMCRMCSOHI-UHFFFAOYSA-N
MW262.69 g/mol
LogP4.07
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 114724857) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
PubChem CID114724857
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H11ClO3/c1-8-4-5-17-14(8)13(16)12-7-9-6-10(15)2-3-11(9)18-12/h2-7,13,16H,1H3
InChIKeyKCQFXMCRMCSOHI-UHFFFAOYSA-N
XLogP4.07
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 114730985
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol (CID 114724857) is (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is KCQFXMCRMCSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-8-4-5-17-14(8)13(16)12-7-9-6-10(15)2-3-11(9)18-12/h2-7,13,16H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol has a molecular weight of 262.69 g/mol, XLogP of 4.07, 2 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)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 114724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).