4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

C18H13NO4 — CID 69205117

IUPAC4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
SMILESN#Cc1cccc(COc2ccc3c(c2)OC2C(C(=O)O)C32)c1
InChIInChI=1S/C18H13NO4/c19-8-10-2-1-3-11(6-10)9-22-12-4-5-13-14(7-12)23-17-15(13)16(17)18(20)21/h1-7,15-17H,9H2,(H,20,21)
InChIKeyLJRFMXUVUIDZPL-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.70
Rot. Bonds4

About 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (PubChem CID 69205117) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
PubChem CID69205117
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
SMILESN#Cc1cccc(COc2ccc3c(c2)OC2C(C(=O)O)C32)c1
InChIInChI=1S/C18H13NO4/c19-8-10-2-1-3-11(6-10)9-22-12-4-5-13-14(7-12)23-17-15(13)16(17)18(20)21/h1-7,15-17H,9H2,(H,20,21)
InChIKeyLJRFMXUVUIDZPL-UHFFFAOYSA-N
XLogP2.70
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 72549655
3-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]benzonitrile
CID 63096560
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
2-amino-5-[(3-cyanophenyl)methoxy]-3-methylbenzoic acid
CID 63102352
(1R,1aR,6bR)-4-[(3-cyanophenyl)methoxy]-1a,6,6a,6b-tetrahydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 71055828
4-[[3-[(3-cyanophenyl)methoxy]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509737
2-[6-[[3-[2-(3-aminophenyl)ethynyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 141377350
(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499
3-[[4-bromo-3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 66738468
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
2-[6-[[3-[2-(4-hydroxyphenyl)ethynyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 141377359

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The IUPAC name of 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (CID 69205117) is 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.
What is the SMILES notation for 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The canonical SMILES for 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is N#Cc1cccc(COc2ccc3c(c2)OC2C(C(=O)O)C32)c1.
What is the InChIKey of 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The InChIKey is LJRFMXUVUIDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c19-8-10-2-1-3-11(6-10)9-22-12-4-5-13-14(7-12)23-17-15(13)16(17)18(20)21/h1-7,15-17H,9H2,(H,20,21).
What are the key properties of 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is sourced from PubChem (CID 69205117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).