(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol

C17H17ClO2 — CID 107294119

IUPAC(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClO2/c1-17(2)10-20-15-7-6-12(9-14(15)17)16(19)11-4-3-5-13(18)8-11/h3-9,16,19H,10H2,1-2H3
InChIKeyRHPQHHIRQNLMMC-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.09
Rot. Bonds2

About (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol

(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (PubChem CID 107294119) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
PubChem CID107294119
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClO2/c1-17(2)10-20-15-7-6-12(9-14(15)17)16(19)11-4-3-5-13(18)8-11/h3-9,16,19H,10H2,1-2H3
InChIKeyRHPQHHIRQNLMMC-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378
(2,5-dichlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294050
(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294047
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
5-[chloro-(3,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294269
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
CID 107294004
5-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,3-dimethyl-2H-1-benzofuran
CID 107959246
(2-bromo-3-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294068
5-[chloro-(2,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294266
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107992313
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (CID 107294119) is (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is CC1(C)COc2ccc(C(O)c3cccc(Cl)c3)cc21.
What is the InChIKey of (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The InChIKey is RHPQHHIRQNLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-17(2)10-20-15-7-6-12(9-14(15)17)16(19)11-4-3-5-13(18)8-11/h3-9,16,19H,10H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol has a molecular weight of 288.77 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 107294119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).