(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol

C15H14ClFO2 — CID 104980144

IUPAC(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClFO2/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(16)8-15(12)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyKDLPDDUVFHMNLB-SNVBAGLBSA-N
MW280.73 g/mol
LogP4.11
Rot. Bonds4

About (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol

(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 104980144) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID104980144
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H14ClFO2/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(16)8-15(12)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyKDLPDDUVFHMNLB-SNVBAGLBSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
CID 106864305
4-fluoro-3-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 78930543
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol (CID 104980144) is (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol is C[C@@H](O)c1ccc(OCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is KDLPDDUVFHMNLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(16)8-15(12)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 280.73 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 104980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).