(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol

C16H16ClFO3 — CID 82002835

IUPAC(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFO3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyDBIQCKYQXADPEQ-JTQLQIEISA-N
MW310.75 g/mol
LogP4.12
Rot. Bonds5

About (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol

(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82002835) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82002835
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFO3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1
InChIKeyDBIQCKYQXADPEQ-JTQLQIEISA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
(1S)-1-[2-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002549
(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
CID 82001578
1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877123
(1S)-1-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 102877125
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol (CID 82002835) is (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol is COc1ccc([C@H](C)O)c(OCc2ccc(F)cc2Cl)c1.
What is the InChIKey of (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is DBIQCKYQXADPEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-10(19)14-6-5-13(20-2)8-16(14)21-9-11-3-4-12(18)7-15(11)17/h3-8,10,19H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol?
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 310.75 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82002835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).