1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol

C15H13Cl2FO2 — CID 89437126

IUPAC1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyHLDYXSDBVFHYEY-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.76
Rot. Bonds4

About 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 89437126) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID89437126
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyHLDYXSDBVFHYEY-UHFFFAOYSA-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

6-Chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran
CID 126331
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
CID 45268974
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
CID 52942006
6-chloro-2-phenyl-2H-chromene
CID 11402251
7-Chlorochroman-4-ol
CID 76851067
Ethanol, 2-(4-chloro-2-ethylphenoxy)-
CID 3041042
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45271481
(3R,4R)-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45272393

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol (CID 89437126) is 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol is CC(O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is HLDYXSDBVFHYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]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 1-[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 89437126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).