2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol

C11H13FO2 — CID 66982700

IUPAC2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccccc1CC=C(F)CO
InChIInChI=1S/C11H13FO2/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7,13H,6,8H2,1H3
InChIKeyTXXCODAYLOJOSR-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.08
Rot. Bonds4

About 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol

2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol (PubChem CID 66982700) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
PubChem CID66982700
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccccc1CC=C(F)CO
InChIInChI=1S/C11H13FO2/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7,13H,6,8H2,1H3
InChIKeyTXXCODAYLOJOSR-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
CID 66982604
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
CID 66983148
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543
(2-(111C)methoxyphenyl)methanol
CID 59897789
lithium (2-methoxyphenyl)methanolate
CID 139799103
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol?
The IUPAC name of 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol (CID 66982700) is 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol?
The canonical SMILES for 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol is COc1ccccc1CC=C(F)CO.
What is the InChIKey of 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol?
The InChIKey is TXXCODAYLOJOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-14-11-5-3-2-4-9(11)6-7-10(12)8-13/h2-5,7,13H,6,8H2,1H3.
What are the key properties of 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol?
2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol has a molecular weight of 196.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 66982700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).