5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid

C14H14O3 — CID 21387582

IUPAC5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
SMILESCCc1ccccc1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O3/c1-2-10-5-3-4-6-11(10)9-12-7-8-13(17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyNPGIRVYSPVTWRF-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.13
Rot. Bonds4

About 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid

5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid (PubChem CID 21387582) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
PubChem CID21387582
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
SMILESCCc1ccccc1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O3/c1-2-10-5-3-4-6-11(10)9-12-7-8-13(17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyNPGIRVYSPVTWRF-UHFFFAOYSA-N
XLogP3.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[(4-chloro-2-methylphenyl)methyl]furan-2-carboxylic acid
CID 21387705
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
carbonic acid;1,2-diethylbenzene
CID 89388803
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
1-[5-(naphthalen-1-ylmethyl)furan-2-yl]ethanone
CID 66788789
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
CID 63933619

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid (CID 21387582) is 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid is CCc1ccccc1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid?
The InChIKey is NPGIRVYSPVTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-10-5-3-4-6-11(10)9-12-7-8-13(17-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid?
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 21387582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).