(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol

C12H13FO — CID 11480958

IUPAC(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)[C@](C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h4-8,14H,1-2H2,3H3/t12-/m0/s1
InChIKeyMLZHEBPODXUOBR-LBPRGKRZSA-N
MW192.23 g/mol
LogP2.78
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol

(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol (PubChem CID 11480958) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol
PubChem CID11480958
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol
SMILESC=CC(=C)[C@](C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h4-8,14H,1-2H2,3H3/t12-/m0/s1
InChIKeyMLZHEBPODXUOBR-LBPRGKRZSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)propan-2-ol
CID 637733
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
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2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
4-(4-fluorophenyl)-3,3-dimethyloct-7-en-4-ol
CID 89377990
1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
2-bromo-2-(4-fluorophenyl)propanal
CID 174941375
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
CID 87894107
CID 87894107
2-(4-fluorophenyl)propan-2-amine
CID 13025665
1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol (CID 11480958) is (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol is C=CC(=C)[C@](C)(O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol?
The InChIKey is MLZHEBPODXUOBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13FO/c1-4-9(2)12(3,14)10-5-7-11(13)8-6-10/h4-8,14H,1-2H2,3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol?
(2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol has a molecular weight of 192.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-methylidenepent-4-en-2-ol is sourced from PubChem (CID 11480958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).