[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol

C12H11ClO2 — CID 7245332

IUPAC[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
SMILESCc1oc(-c2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C12H11ClO2/c1-8-10(7-14)6-12(15-8)9-2-4-11(13)5-3-9/h2-6,14H,7H2,1H3
InChIKeyGQHKNJRCVPQMQL-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.40
Rot. Bonds2

About [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol

[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol (PubChem CID 7245332) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
PubChem CID7245332
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
SMILESCc1oc(-c2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C12H11ClO2/c1-8-10(7-14)6-12(15-8)9-2-4-11(13)5-3-9/h2-6,14H,7H2,1H3
InChIKeyGQHKNJRCVPQMQL-UHFFFAOYSA-N
XLogP3.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol (CID 7245332) is [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol is Cc1oc(-c2ccc(Cl)cc2)cc1CO.
What is the InChIKey of [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol?
The InChIKey is GQHKNJRCVPQMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8-10(7-14)6-12(15-8)9-2-4-11(13)5-3-9/h2-6,14H,7H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol?
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol has a molecular weight of 222.67 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol is sourced from PubChem (CID 7245332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).