(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol

C12H10ClFO2 — CID 97292995

IUPAC(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H10ClFO2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6,12,15H,1H3/t12-/m0/s1
InChIKeyMXYIPOKKJMEBFP-LBPRGKRZSA-N
MW240.66 g/mol
LogP3.46
Rot. Bonds2

About (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol

(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol (PubChem CID 97292995) has the molecular formula C12H10ClFO2 and a molecular weight of 240.66 g/mol. Its IUPAC name is (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
PubChem CID97292995
Molecular FormulaC12H10ClFO2
Molecular Weight240.66 g/mol
Exact Mass240.04
IUPAC Name(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc([C@@H](O)c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H10ClFO2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6,12,15H,1H3/t12-/m0/s1
InChIKeyMXYIPOKKJMEBFP-LBPRGKRZSA-N
XLogP3.46
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
CID 107287144
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727
(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
CID 97292896
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(2-chlorophenyl)-(5-methylfuran-2-yl)methanol
CID 23912548
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol?
The IUPAC name of (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol (CID 97292995) is (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol?
The canonical SMILES for (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol is Cc1ccc([C@@H](O)c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol?
The InChIKey is MXYIPOKKJMEBFP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10ClFO2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6,12,15H,1H3/t12-/m0/s1.
What are the key properties of (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol?
(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol has a molecular weight of 240.66 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 97292995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).