(7-chloro-5-methyl-1-benzofuran-2-yl)methanol

C10H9ClO2 — CID 65440518

IUPAC(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(Cl)c2oc(CO)cc2c1
InChIInChI=1S/C10H9ClO2/c1-6-2-7-4-8(5-12)13-10(7)9(11)3-6/h2-4,12H,5H2,1H3
InChIKeyDJIUJQBABUKCSL-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.89
Rot. Bonds1

About (7-chloro-5-methyl-1-benzofuran-2-yl)methanol

(7-chloro-5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 65440518) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (7-chloro-5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
PubChem CID65440518
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cc(Cl)c2oc(CO)cc2c1
InChIInChI=1S/C10H9ClO2/c1-6-2-7-4-8(5-12)13-10(7)9(11)3-6/h2-4,12H,5H2,1H3
InChIKeyDJIUJQBABUKCSL-UHFFFAOYSA-N
XLogP2.89
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (7-chloro-5-methyl-1-benzofuran-2-yl)methanol (CID 65440518) is (7-chloro-5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (7-chloro-5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (7-chloro-5-methyl-1-benzofuran-2-yl)methanol is Cc1cc(Cl)c2oc(CO)cc2c1.
What is the InChIKey of (7-chloro-5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is DJIUJQBABUKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-6-2-7-4-8(5-12)13-10(7)9(11)3-6/h2-4,12H,5H2,1H3.
What are the key properties of (7-chloro-5-methyl-1-benzofuran-2-yl)methanol?
(7-chloro-5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 196.63 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 65440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).