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

C17H16BrClO2 — CID 63427339

IUPAC(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(Br)ccc3Cl)ccc2O1
InChIInChI=1S/C17H16BrClO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3
InChIKeySPMPNENRRDSDMA-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.90
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 63427339) has the molecular formula C17H16BrClO2 and a molecular weight of 367.67 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID63427339
Molecular FormulaC17H16BrClO2
Molecular Weight367.67 g/mol
Exact Mass366.00
IUPAC Name(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3cc(Br)ccc3Cl)ccc2O1
InChIInChI=1S/C17H16BrClO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3
InChIKeySPMPNENRRDSDMA-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 106855386
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
CID 62326718
(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 62660576
(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 62324313
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 79996565
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437
5-[bromo-(3-chlorothiophen-2-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 80642395
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447881
(4-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 63496051
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 63427339) is (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)c3cc(Br)ccc3Cl)ccc2O1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is SPMPNENRRDSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO2/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-8-12(18)4-5-14(13)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol has a molecular weight of 367.67 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 63427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).