4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid

C18H14O4 — CID 23062503

IUPAC4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OCc2ccccc2)co1
InChIInChI=1S/C18H14O4/c19-18(20)17-10-14(12-22-17)15-8-4-5-9-16(15)21-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20)
InChIKeyVHAWOKZRWAKKKS-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.22
Rot. Bonds5

About 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid

4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid (PubChem CID 23062503) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
PubChem CID23062503
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OCc2ccccc2)co1
InChIInChI=1S/C18H14O4/c19-18(20)17-10-14(12-22-17)15-8-4-5-9-16(15)21-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20)
InChIKeyVHAWOKZRWAKKKS-UHFFFAOYSA-N
XLogP4.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
CID 53224525
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-(azepane-1-carbonyl)-5-phenylmethoxypyran-4-one
CID 42226882
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid?
The IUPAC name of 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid (CID 23062503) is 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2OCc2ccccc2)co1.
What is the InChIKey of 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid?
The InChIKey is VHAWOKZRWAKKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-18(20)17-10-14(12-22-17)15-8-4-5-9-16(15)21-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,19,20).
What are the key properties of 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid?
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 23062503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).