4-(furan-2-yl)-2-methoxybenzoic acid

C12H10O4 — CID 53224787

IUPAC4-(furan-2-yl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccco2)ccc1C(=O)O
InChIInChI=1S/C12H10O4/c1-15-11-7-8(10-3-2-6-16-10)4-5-9(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyRZHGFJHDEJEYBZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.65
Rot. Bonds3

About 4-(furan-2-yl)-2-methoxybenzoic acid

4-(furan-2-yl)-2-methoxybenzoic acid (PubChem CID 53224787) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methoxybenzoic acid
PubChem CID53224787
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name4-(furan-2-yl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccco2)ccc1C(=O)O
InChIInChI=1S/C12H10O4/c1-15-11-7-8(10-3-2-6-16-10)4-5-9(11)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyRZHGFJHDEJEYBZ-UHFFFAOYSA-N
XLogP2.65
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
CID 168526436
1-[5-[4-(furan-2-yl)-2-methoxyphenyl]furan-2-yl]ethanone
CID 168527546
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 58431996
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
[4-(furan-2-yl)-2,6-dimethoxyphenyl]methanamine
CID 150177853
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methoxybenzoic acid?
The IUPAC name of 4-(furan-2-yl)-2-methoxybenzoic acid (CID 53224787) is 4-(furan-2-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(furan-2-yl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(furan-2-yl)-2-methoxybenzoic acid is COc1cc(-c2ccco2)ccc1C(=O)O.
What is the InChIKey of 4-(furan-2-yl)-2-methoxybenzoic acid?
The InChIKey is RZHGFJHDEJEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-11-7-8(10-3-2-6-16-10)4-5-9(11)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 4-(furan-2-yl)-2-methoxybenzoic acid?
4-(furan-2-yl)-2-methoxybenzoic acid has a molecular weight of 218.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 53224787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).