4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol

C11H13FO2 — CID 170476426

IUPAC4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
SMILESCOc1c(F)cccc1C=CCCO
InChIInChI=1S/C11H13FO2/c1-14-11-9(5-2-3-8-13)6-4-7-10(11)12/h2,4-7,13H,3,8H2,1H3
InChIKeyPXEBTJRISDQHTP-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.23
Rot. Bonds4

About 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol

4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol (PubChem CID 170476426) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
PubChem CID170476426
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
SMILESCOc1c(F)cccc1C=CCCO
InChIInChI=1S/C11H13FO2/c1-14-11-9(5-2-3-8-13)6-4-7-10(11)12/h2,4-7,13H,3,8H2,1H3
InChIKeyPXEBTJRISDQHTP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359
3-(3-fluoro-2-methoxyphenyl)prop-2-ene-1-thiol
CID 169455021
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
CID 170476801
2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
CID 170476567
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol (CID 170476426) is 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol is COc1c(F)cccc1C=CCCO.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol?
The InChIKey is PXEBTJRISDQHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-14-11-9(5-2-3-8-13)6-4-7-10(11)12/h2,4-7,13H,3,8H2,1H3.
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol?
4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol has a molecular weight of 196.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol is sourced from PubChem (CID 170476426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).