[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone

C30H24F6O4 — CID 160587565

IUPAC[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)c1ccccc1.COc1ccc(C(F)(F)F)cc1C(O)c1ccccc1
InChIInChI=1S/C15H13F3O2.C15H11F3O2/c2*1-20-13-8-7-11(15(16,17)18)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3;2-9H,1H3
InChIKeyRCOZWBUYYXLKQI-UHFFFAOYSA-N
MW562.51 g/mol
LogP7.74
Rot. Bonds6

About [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone

[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 160587565) has the molecular formula C30H24F6O4 and a molecular weight of 562.51 g/mol. Its IUPAC name is [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID160587565
Molecular FormulaC30H24F6O4
Molecular Weight562.51 g/mol
Exact Mass562.16
IUPAC Name[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)c1ccccc1.COc1ccc(C(F)(F)F)cc1C(O)c1ccccc1
InChIInChI=1S/C15H13F3O2.C15H11F3O2/c2*1-20-13-8-7-11(15(16,17)18)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3;2-9H,1H3
InChIKeyRCOZWBUYYXLKQI-UHFFFAOYSA-N
XLogP7.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.51
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
4-[2-methoxy-5-(trifluoromethyl)benzoyl]benzonitrile
CID 15718536
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 84706087
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
4-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 82262810

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone (CID 160587565) is [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone is COc1ccc(C(F)(F)F)cc1C(=O)c1ccccc1.COc1ccc(C(F)(F)F)cc1C(O)c1ccccc1.
What is the InChIKey of [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is RCOZWBUYYXLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2.C15H11F3O2/c2*1-20-13-8-7-11(15(16,17)18)9-12(13)14(19)10-5-3-2-4-6-10/h2-9,14,19H,1H3;2-9H,1H3.
What are the key properties of [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone?
[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 562.51 g/mol, XLogP of 7.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 160587565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).