(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol

C11H12F2O2 — CID 11600957

IUPAC(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccc(/C(=C\CO)C(F)F)cc1
InChIInChI=1S/C11H12F2O2/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-6,11,14H,7H2,1H3/b10-6+
InChIKeyQWSYAKIUTCCVDH-UXBLZVDNSA-N
MW214.21 g/mol
LogP2.34
Rot. Bonds4

About (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol

(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol (PubChem CID 11600957) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
PubChem CID11600957
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccc(/C(=C\CO)C(F)F)cc1
InChIInChI=1S/C11H12F2O2/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-6,11,14H,7H2,1H3/b10-6+
InChIKeyQWSYAKIUTCCVDH-UXBLZVDNSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
CID 95449708
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-en-1-ol
CID 22270298
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
(3R,4S)-4-fluoro-3-hydroxy-1-(4-methoxyphenyl)-5-methylhexan-1-one
CID 177446703
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol?
The IUPAC name of (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol (CID 11600957) is (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol is COc1ccc(/C(=C\CO)C(F)F)cc1.
What is the InChIKey of (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol?
The InChIKey is QWSYAKIUTCCVDH-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-6,11,14H,7H2,1H3/b10-6+.
What are the key properties of (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol?
(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol has a molecular weight of 214.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 11600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).