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

C17H16ClFO2 — CID 107294047

IUPAC(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C17H16ClFO2/c1-17(2)9-21-15-6-3-10(7-13(15)17)16(20)12-8-11(18)4-5-14(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyLSMAOBYEFCDMMO-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.23
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (PubChem CID 107294047) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
PubChem CID107294047
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
SMILESCC1(C)COc2ccc(C(O)c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C17H16ClFO2/c1-17(2)9-21-15-6-3-10(7-13(15)17)16(20)12-8-11(18)4-5-14(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyLSMAOBYEFCDMMO-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294050
(3-chlorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294119
(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
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methoxyphenyl)methanol
CID 107294004
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107992313
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
5-[chloro-(3,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294269
5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol (CID 107294047) is (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is CC1(C)COc2ccc(C(O)c3cc(Cl)ccc3F)cc21.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
The InChIKey is LSMAOBYEFCDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-17(2)9-21-15-6-3-10(7-13(15)17)16(20)12-8-11(18)4-5-14(12)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol?
(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol has a molecular weight of 306.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 107294047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).