(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol

C16H14ClFO2 — CID 81045709

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESCc1cc(C(O)c2ccc3c(c2)COC3)c(Cl)cc1F
InChIInChI=1S/C16H14ClFO2/c1-9-4-13(14(17)6-15(9)18)16(19)10-2-3-11-7-20-8-12(11)5-10/h2-6,16,19H,7-8H2,1H3
InChIKeyZZLFHRAFEGHSGR-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.90
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 81045709) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID81045709
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESCc1cc(C(O)c2ccc3c(c2)COC3)c(Cl)cc1F
InChIInChI=1S/C16H14ClFO2/c1-9-4-13(14(17)6-15(9)18)16(19)10-2-3-11-7-20-8-12(11)5-10/h2-6,16,19H,7-8H2,1H3
InChIKeyZZLFHRAFEGHSGR-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
(2-chloro-3-fluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81461442
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
CID 63020951
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
CID 115817753
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 81045709) is (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is Cc1cc(C(O)c2ccc3c(c2)COC3)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is ZZLFHRAFEGHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-4-13(14(17)6-15(9)18)16(19)10-2-3-11-7-20-8-12(11)5-10/h2-6,16,19H,7-8H2,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 292.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 81045709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).