5-(4-fluoro-3-methylphenyl)pent-4-enoic acid

C12H13FO2 — CID 171372503

IUPAC5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
SMILESCc1cc(C=CCCC(=O)O)ccc1F
InChIInChI=1S/C12H13FO2/c1-9-8-10(6-7-11(9)13)4-2-3-5-12(14)15/h2,4,6-8H,3,5H2,1H3,(H,14,15)
InChIKeyDKQNSEMPJTWKBL-UHFFFAOYSA-N
MW208.23 g/mol
LogP3.01
Rot. Bonds4

About 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid

5-(4-fluoro-3-methylphenyl)pent-4-enoic acid (PubChem CID 171372503) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
PubChem CID171372503
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
SMILESCc1cc(C=CCCC(=O)O)ccc1F
InChIInChI=1S/C12H13FO2/c1-9-8-10(6-7-11(9)13)4-2-3-5-12(14)15/h2,4,6-8H,3,5H2,1H3,(H,14,15)
InChIKeyDKQNSEMPJTWKBL-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
CID 171372582
2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
CID 78325099
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
(E)-5-phenylpent-4-enoic acid
CID 5370650
2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
(E)-6-(3-fluoro-4-methoxyphenyl)hex-5-enoic acid
CID 95453750
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid (CID 171372503) is 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid is Cc1cc(C=CCCC(=O)O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid?
The InChIKey is DKQNSEMPJTWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-9-8-10(6-7-11(9)13)4-2-3-5-12(14)15/h2,4,6-8H,3,5H2,1H3,(H,14,15).
What are the key properties of 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid?
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid has a molecular weight of 208.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)pent-4-enoic acid is sourced from PubChem (CID 171372503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).