fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate

C10H9FO3 — CID 174949751

IUPACfluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(CO)cc1)OF
InChIInChI=1S/C10H9FO3/c11-14-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-6,12H,7H2/b6-5+
InChIKeyQQINDOSKZGRQFZ-AATRIKPKSA-N
MW196.18 g/mol
LogP1.62
Rot. Bonds3

About fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate

fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate (PubChem CID 174949751) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namefluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
PubChem CID174949751
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Namefluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(CO)cc1)OF
InChIInChI=1S/C10H9FO3/c11-14-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-6,12H,7H2/b6-5+
InChIKeyQQINDOSKZGRQFZ-AATRIKPKSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
methyl 3-[4-(hydroxymethyl)phenyl]prop-2-eneperoxoate
CID 89277530
(E)-3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enamide
CID 89009479
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
methyl (E)-3-[4-(2-oxoethyl)phenyl]prop-2-enoate
CID 10465506
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
methyl (E)-3-[4-(iodomethyl)phenyl]prop-2-enoate
CID 121222493
(4-prop-1-enylphenyl)methanol
CID 67711719
(E)-4-[4-(hydroxymethyl)phenyl]but-3-en-2-one;(1E,4E)-1-[4-(hydroxymethyl)phenyl]-5-phenylpenta-1,4-dien-3-one;propan-2-one
CID 160610282
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367

Frequently Asked Questions

What is the IUPAC name of fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate?
The IUPAC name of fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate (CID 174949751) is fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate.
What is the SMILES notation for fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate?
The canonical SMILES for fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate is O=C(/C=C/c1ccc(CO)cc1)OF.
What is the InChIKey of fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate?
The InChIKey is QQINDOSKZGRQFZ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9FO3/c11-14-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-6,12H,7H2/b6-5+.
What are the key properties of fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate?
fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate has a molecular weight of 196.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 174949751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).