(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol

C17H15F3O2 — CID 177392533

IUPAC(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol
SMILESCOc1ccc(/C(=C/C(O)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-22-14-9-7-12(8-10-14)15(17(18,19)20)11-16(21)13-5-3-2-4-6-13/h2-11,16,21H,1H3/b15-11-
InChIKeyMBJAKEVGSPAOHP-PTNGSMBKSA-N
MW308.30 g/mol
LogP4.37
Rot. Bonds4

About (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol

(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol (PubChem CID 177392533) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol
PubChem CID177392533
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol
SMILESCOc1ccc(/C(=C/C(O)c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-22-14-9-7-12(8-10-14)15(17(18,19)20)11-16(21)13-5-3-2-4-6-13/h2-11,16,21H,1H3/b15-11-
InChIKeyMBJAKEVGSPAOHP-PTNGSMBKSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxybenzene
CID 118270621
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 57080555
anisole;2,2,2-trifluoroacetic acid
CID 66633105
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389
1-(4-methoxyphenyl)-4-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]benzene
CID 12052590
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol?
The IUPAC name of (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol (CID 177392533) is (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol is COc1ccc(/C(=C/C(O)c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol?
The InChIKey is MBJAKEVGSPAOHP-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-22-14-9-7-12(8-10-14)15(17(18,19)20)11-16(21)13-5-3-2-4-6-13/h2-11,16,21H,1H3/b15-11-.
What are the key properties of (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol?
(Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol has a molecular weight of 308.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 177392533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).