[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol

C17H17ClO3 — CID 114846015

IUPAC[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
SMILESCC1(C)Cc2cccc(Oc3ccc(Cl)cc3CO)c2O1
InChIInChI=1S/C17H17ClO3/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-14-7-6-13(18)8-12(14)10-19/h3-8,19H,9-10H2,1-2H3
InChIKeyLYSZKSVNQOMMEH-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.34
Rot. Bonds3

About [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol

[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol (PubChem CID 114846015) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
PubChem CID114846015
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
SMILESCC1(C)Cc2cccc(Oc3ccc(Cl)cc3CO)c2O1
InChIInChI=1S/C17H17ClO3/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-14-7-6-13(18)8-12(14)10-19/h3-8,19H,9-10H2,1-2H3
InChIKeyLYSZKSVNQOMMEH-UHFFFAOYSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol with MolForge

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Related Compounds

7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
[3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 63087179
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
CID 66234792
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
CID 79256209
[3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 82785360
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbenzaldehyde
CID 63534294
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 63942868
4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 43350132

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol?
The IUPAC name of [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol (CID 114846015) is [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol is CC1(C)Cc2cccc(Oc3ccc(Cl)cc3CO)c2O1.
What is the InChIKey of [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol?
The InChIKey is LYSZKSVNQOMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-14-7-6-13(18)8-12(14)10-19/h3-8,19H,9-10H2,1-2H3.
What are the key properties of [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol?
[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol has a molecular weight of 304.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol is sourced from PubChem (CID 114846015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).