(5-chloro-7-methyl-1-benzofuran-3-yl)methanol

C10H9ClO2 — CID 90300161

IUPAC(5-chloro-7-methyl-1-benzofuran-3-yl)methanol
SMILESCc1cc(Cl)cc2c(CO)coc12
InChIInChI=1S/C10H9ClO2/c1-6-2-8(11)3-9-7(4-12)5-13-10(6)9/h2-3,5,12H,4H2,1H3
InChIKeyAHBLUGRAIVIPNS-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.89
Rot. Bonds1

About (5-chloro-7-methyl-1-benzofuran-3-yl)methanol

(5-chloro-7-methyl-1-benzofuran-3-yl)methanol (PubChem CID 90300161) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is (5-chloro-7-methyl-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-7-methyl-1-benzofuran-3-yl)methanol
PubChem CID90300161
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name(5-chloro-7-methyl-1-benzofuran-3-yl)methanol
SMILESCc1cc(Cl)cc2c(CO)coc12
InChIInChI=1S/C10H9ClO2/c1-6-2-8(11)3-9-7(4-12)5-13-10(6)9/h2-3,5,12H,4H2,1H3
InChIKeyAHBLUGRAIVIPNS-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 (5-chloro-7-methyl-1-benzofuran-3-yl)methanol?
The IUPAC name of (5-chloro-7-methyl-1-benzofuran-3-yl)methanol (CID 90300161) is (5-chloro-7-methyl-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (5-chloro-7-methyl-1-benzofuran-3-yl)methanol?
The canonical SMILES for (5-chloro-7-methyl-1-benzofuran-3-yl)methanol is Cc1cc(Cl)cc2c(CO)coc12.
What is the InChIKey of (5-chloro-7-methyl-1-benzofuran-3-yl)methanol?
The InChIKey is AHBLUGRAIVIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-6-2-8(11)3-9-7(4-12)5-13-10(6)9/h2-3,5,12H,4H2,1H3.
What are the key properties of (5-chloro-7-methyl-1-benzofuran-3-yl)methanol?
(5-chloro-7-methyl-1-benzofuran-3-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 (5-chloro-7-methyl-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 90300161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).