(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol

C16H16ClFO2 — CID 102856296

IUPAC(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2cccc(Cl)c2F)c([C@H](C)O)c1
InChIInChI=1S/C16H16ClFO2/c1-10-6-7-15(13(8-10)11(2)19)20-9-12-4-3-5-14(17)16(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyQGJJVCCVOYVHJL-NSHDSACASA-N
MW294.75 g/mol
LogP4.42
Rot. Bonds4

About (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol

(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol (PubChem CID 102856296) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
PubChem CID102856296
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2cccc(Cl)c2F)c([C@H](C)O)c1
InChIInChI=1S/C16H16ClFO2/c1-10-6-7-15(13(8-10)11(2)19)20-9-12-4-3-5-14(17)16(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1
InChIKeyQGJJVCCVOYVHJL-NSHDSACASA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 102856322
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 102856285
(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 81266896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol (CID 102856296) is (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol is Cc1ccc(OCc2cccc(Cl)c2F)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is QGJJVCCVOYVHJL-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-6-7-15(13(8-10)11(2)19)20-9-12-4-3-5-14(17)16(12)18/h3-8,11,19H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol?
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 102856296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).