(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol

C11H8ClFO2 — CID 95256736

IUPAC(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
SMILESO[C@@H](c1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C11H8ClFO2/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1
InChIKeySPTIESMTBJOUJC-NSHDSACASA-N
MW226.63 g/mol
LogP3.15
Rot. Bonds2

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

(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol (PubChem CID 95256736) has the molecular formula C11H8ClFO2 and a molecular weight of 226.63 g/mol. Its IUPAC name is (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
PubChem CID95256736
Molecular FormulaC11H8ClFO2
Molecular Weight226.63 g/mol
Exact Mass226.02
IUPAC Name(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
SMILESO[C@@H](c1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C11H8ClFO2/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1
InChIKeySPTIESMTBJOUJC-NSHDSACASA-N
XLogP3.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
[4-bromo-3-(trifluoromethyl)phenyl]-(furan-2-yl)methanol
CID 115797407
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol?
The IUPAC name of (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol (CID 95256736) is (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol?
The canonical SMILES for (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol is O[C@@H](c1ccc(F)c(Cl)c1)c1ccco1.
What is the InChIKey of (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol?
The InChIKey is SPTIESMTBJOUJC-NSHDSACASA-N. The full InChI is InChI=1S/C11H8ClFO2/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1.
What are the key properties of (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol?
(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol has a molecular weight of 226.63 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 95256736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).