(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol

C13H13ClF2N2O2 — CID 63364536

IUPAC(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nccn1C(F)F
InChIInChI=1S/C13H13ClF2N2O2/c1-8(19)10-6-9(14)2-3-11(10)20-7-12-17-4-5-18(12)13(15)16/h2-6,8,13,19H,7H2,1H3/t8-/m0/s1
InChIKeyWAHLHULRJGZLDP-QMMMGPOBSA-N
MW302.71 g/mol
LogP3.56
Rot. Bonds5

About (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol (PubChem CID 63364536) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
PubChem CID63364536
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nccn1C(F)F
InChIInChI=1S/C13H13ClF2N2O2/c1-8(19)10-6-9(14)2-3-11(10)20-7-12-17-4-5-18(12)13(15)16/h2-6,8,13,19H,7H2,1H3/t8-/m0/s1
InChIKeyWAHLHULRJGZLDP-QMMMGPOBSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 62072724
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
CID 91636213
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methoxybenzoic acid
CID 43244336
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methoxyphenyl]methanol
CID 43267887
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol (CID 63364536) is (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1nccn1C(F)F.
What is the InChIKey of (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol?
The InChIKey is WAHLHULRJGZLDP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClF2N2O2/c1-8(19)10-6-9(14)2-3-11(10)20-7-12-17-4-5-18(12)13(15)16/h2-6,8,13,19H,7H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol has a molecular weight of 302.71 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 63364536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).