(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol

C15H17ClO3 — CID 114727098

IUPAC(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
SMILESCC1(C(O)c2cc3cccc(Cl)c3o2)CCCCO1
InChIInChI=1S/C15H17ClO3/c1-15(7-2-3-8-18-15)14(17)12-9-10-5-4-6-11(16)13(10)19-12/h4-6,9,14,17H,2-3,7-8H2,1H3
InChIKeyWREHWLDMNOKBSS-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.08
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol

(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol (PubChem CID 114727098) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
PubChem CID114727098
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
SMILESCC1(C(O)c2cc3cccc(Cl)c3o2)CCCCO1
InChIInChI=1S/C15H17ClO3/c1-15(7-2-3-8-18-15)14(17)12-9-10-5-4-6-11(16)13(10)19-12/h4-6,9,14,17H,2-3,7-8H2,1H3
InChIKeyWREHWLDMNOKBSS-UHFFFAOYSA-N
XLogP4.08
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837587
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
(2-methyloxan-2-yl)-quinolin-3-ylmethanol
CID 80684863

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol (CID 114727098) is (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol is CC1(C(O)c2cc3cccc(Cl)c3o2)CCCCO1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol?
The InChIKey is WREHWLDMNOKBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-15(7-2-3-8-18-15)14(17)12-9-10-5-4-6-11(16)13(10)19-12/h4-6,9,14,17H,2-3,7-8H2,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol?
(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol has a molecular weight of 280.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol is sourced from PubChem (CID 114727098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).