(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid

C14H14O4 — CID 743102

IUPAC(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1[C@H](CC(=O)O)c1ccco1
InChIInChI=1S/C14H14O4/c1-17-12-6-3-2-5-10(12)11(9-14(15)16)13-7-4-8-18-13/h2-8,11H,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyICKURTHQHUGHMK-NSHDSACASA-N
MW246.26 g/mol
LogP2.89
Rot. Bonds5

About (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 743102) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID743102
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1[C@H](CC(=O)O)c1ccco1
InChIInChI=1S/C14H14O4/c1-17-12-6-3-2-5-10(12)11(9-14(15)16)13-7-4-8-18-13/h2-8,11H,9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyICKURTHQHUGHMK-NSHDSACASA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 921733
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 1306729
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
[furan-2-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191034
3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
CID 175042356
2-[(S)-furan-2-yl-(2-methoxyanilino)methyl]sulfanylacetic acid
CID 51567261
3-(2-methoxyphenyl)-3-triphenylgermylpropanoic acid
CID 15180324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid (CID 743102) is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1[C@H](CC(=O)O)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is ICKURTHQHUGHMK-NSHDSACASA-N. The full InChI is InChI=1S/C14H14O4/c1-17-12-6-3-2-5-10(12)11(9-14(15)16)13-7-4-8-18-13/h2-8,11H,9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid?
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 743102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).