2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid

C14H14O4 — CID 167607988

IUPAC2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCc2ccoc2)c1
InChIInChI=1S/C14H14O4/c1-17-12-4-5-13(14(15)16)11(8-12)3-2-10-6-7-18-9-10/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyKQMFZYOBUDNLTL-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid

2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid (PubChem CID 167607988) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
PubChem CID167607988
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCc2ccoc2)c1
InChIInChI=1S/C14H14O4/c1-17-12-4-5-13(14(15)16)11(8-12)3-2-10-6-7-18-9-10/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyKQMFZYOBUDNLTL-UHFFFAOYSA-N
XLogP2.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
2-heptyl-4-methoxybenzoic acid
CID 174870119
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan
CID 10585557
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid (CID 167607988) is 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(CCc2ccoc2)c1.
What is the InChIKey of 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid?
The InChIKey is KQMFZYOBUDNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-12-4-5-13(14(15)16)11(8-12)3-2-10-6-7-18-9-10/h4-9H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid?
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid has a molecular weight of 246.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid is sourced from PubChem (CID 167607988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).