(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol

C24H21ClF2O2 — CID 59032878

IUPAC(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol
SMILESOCCC(/C(F)=C(\F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2O2/c25-19-11-9-18(10-12-19)22(13-14-28)24(27)23(26)16-17-5-4-8-21(15-17)29-20-6-2-1-3-7-20/h1-12,15,22,28H,13-14,16H2/b24-23+
InChIKeyFOEGTLNLIZNUHO-WCWDXBQESA-N
MW414.88 g/mol
LogP6.99
Rot. Bonds8

About (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol

(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol (PubChem CID 59032878) has the molecular formula C24H21ClF2O2 and a molecular weight of 414.88 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol
PubChem CID59032878
Molecular FormulaC24H21ClF2O2
Molecular Weight414.88 g/mol
Exact Mass414.12
IUPAC Name(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol
SMILESOCCC(/C(F)=C(\F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClF2O2/c25-19-11-9-18(10-12-19)22(13-14-28)24(27)23(26)16-17-5-4-8-21(15-17)29-20-6-2-1-3-7-20/h1-12,15,22,28H,13-14,16H2/b24-23+
InChIKeyFOEGTLNLIZNUHO-WCWDXBQESA-N
XLogP6.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.88
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,5-difluoro-2-methyl-6-(3-phenoxyphenyl)hex-4-en-3-yl]-4-(trifluoromethoxy)benzene
CID 70148916
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
CID 21282190
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
1-chloro-4-[2-[3-(4-chlorophenyl)-4-methyl-1-(3-phenoxyphenyl)pentan-2-yl]sulfanyl-4-methyl-1-(3-phenoxyphenyl)pentan-3-yl]benzene
CID 150736964
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol?
The IUPAC name of (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol (CID 59032878) is (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol?
The canonical SMILES for (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol is OCCC(/C(F)=C(\F)Cc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol?
The InChIKey is FOEGTLNLIZNUHO-WCWDXBQESA-N. The full InChI is InChI=1S/C24H21ClF2O2/c25-19-11-9-18(10-12-19)22(13-14-28)24(27)23(26)16-17-5-4-8-21(15-17)29-20-6-2-1-3-7-20/h1-12,15,22,28H,13-14,16H2/b24-23+.
What are the key properties of (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol?
(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol has a molecular weight of 414.88 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol is sourced from PubChem (CID 59032878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).