3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid

C14H12O4 — CID 776100

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(C=CC(=O)O)o2)cc1
InChIInChI=1S/C14H12O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyDJJPYNLLZYGDPI-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.05
Rot. Bonds4

About 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid

3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 776100) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
PubChem CID776100
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
SMILESCOc1ccc(-c2ccc(C=CC(=O)O)o2)cc1
InChIInChI=1S/C14H12O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyDJJPYNLLZYGDPI-UHFFFAOYSA-N
XLogP3.05
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
4-[5-(2-carboxyethenyl)furan-2-yl]benzoic acid
CID 171146640
(E)-3-[5-(4-propan-2-ylphenyl)furan-2-yl]prop-2-enoic acid
CID 43826347
(E)-3-(5-methoxyfuran-2-yl)prop-2-enoic acid
CID 130334856
(E)-1-(4-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5340118
(E)-3-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]prop-2-enoic acid
CID 118350130
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
(E)-3-[5-(3-methoxycarbonylphenyl)furan-2-yl]prop-2-enoic acid
CID 17274123
(E)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17313409
(E)-3-[4-(5-methylfuran-2-yl)phenyl]prop-2-enoic acid
CID 170872382
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid (CID 776100) is 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid is COc1ccc(-c2ccc(C=CC(=O)O)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is DJJPYNLLZYGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-9H,1H3,(H,15,16).
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid?
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 244.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 776100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).