(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol

C15H13Cl2FO2 — CID 107720070

IUPAC(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyCQRZDGRGCKEFCQ-SECBINFHSA-N
MW315.17 g/mol
LogP4.76
Rot. Bonds4

About (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol

(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107720070) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107720070
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyCQRZDGRGCKEFCQ-SECBINFHSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol (CID 107720070) is (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol is C[C@@H](O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is CQRZDGRGCKEFCQ-SECBINFHSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol?
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 315.17 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107720070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).