ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol

C14H21FO2 — CID 143743964

IUPACethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol
SMILESCC.Cc1cc(COC/C=C/CO)ccc1F
InChIInChI=1S/C12H15FO2.C2H6/c1-10-8-11(4-5-12(10)13)9-15-7-3-2-6-14;1-2/h2-5,8,14H,6-7,9H2,1H3;1-2H3/b3-2+;
InChIKeyAACNEJGOYDWHAT-SQQVDAMQSA-N
MW240.32 g/mol
LogP3.23
Rot. Bonds5

About ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol

ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol (PubChem CID 143743964) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol.

Molecular Properties

Compound Nameethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol
PubChem CID143743964
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Nameethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol
SMILESCC.Cc1cc(COC/C=C/CO)ccc1F
InChIInChI=1S/C12H15FO2.C2H6/c1-10-8-11(4-5-12(10)13)9-15-7-3-2-6-14;1-2/h2-5,8,14H,6-7,9H2,1H3;1-2H3/b3-2+;
InChIKeyAACNEJGOYDWHAT-SQQVDAMQSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
4-[(2E,5E)-2-chlorohepta-2,5-dienyl]-1-fluoro-2-methylbenzene
CID 167217064
2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
CID 79017010
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(4-fluoro-3-methylphenyl)but-3-en-2-one
CID 141051945
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
4-(butoxymethyl)-1-fluoro-2-methylbenzene;2-(4-fluoro-3,5-dimethylanilino)-N-hydroxyacetamide
CID 143730619
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol?
The IUPAC name of ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol (CID 143743964) is ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol.
What is the SMILES notation for ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol?
The canonical SMILES for ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol is CC.Cc1cc(COC/C=C/CO)ccc1F.
What is the InChIKey of ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol?
The InChIKey is AACNEJGOYDWHAT-SQQVDAMQSA-N. The full InChI is InChI=1S/C12H15FO2.C2H6/c1-10-8-11(4-5-12(10)13)9-15-7-3-2-6-14;1-2/h2-5,8,14H,6-7,9H2,1H3;1-2H3/b3-2+;.
What are the key properties of ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol?
ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol is sourced from PubChem (CID 143743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).