(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol

C16H16ClFO2 — CID 103046950

IUPAC(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9,15,19H,2,10H2,1H3/t15-/m0/s1
InChIKeyLCUGGDIZNNIGNF-HNNXBMFYSA-N
MW294.75 g/mol
LogP4.50
Rot. Bonds5

About (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol (PubChem CID 103046950) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
PubChem CID103046950
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9,15,19H,2,10H2,1H3/t15-/m0/s1
InChIKeyLCUGGDIZNNIGNF-HNNXBMFYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 65318748
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol (CID 103046950) is (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is LCUGGDIZNNIGNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-2-15(19)13-5-3-4-6-16(13)20-10-11-9-12(17)7-8-14(11)18/h3-9,15,19H,2,10H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 294.75 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 103046950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).