3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid

C16H11ClO4 — CID 43169570

IUPAC3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClO4/c17-13-5-6-14(12-4-2-1-3-11(12)13)21-9-10-7-8-20-15(10)16(18)19/h1-8H,9H2,(H,18,19)
InChIKeyRDXDCKFYORBDMZ-UHFFFAOYSA-N
MW302.71 g/mol
LogP4.36
Rot. Bonds4

About 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid

3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid (PubChem CID 43169570) has the molecular formula C16H11ClO4 and a molecular weight of 302.71 g/mol. Its IUPAC name is 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid
PubChem CID43169570
Molecular FormulaC16H11ClO4
Molecular Weight302.71 g/mol
Exact Mass302.03
IUPAC Name3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1COc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClO4/c17-13-5-6-14(12-4-2-1-3-11(12)13)21-9-10-7-8-20-15(10)16(18)19/h1-8H,9H2,(H,18,19)
InChIKeyRDXDCKFYORBDMZ-UHFFFAOYSA-N
XLogP4.36
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-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

3-[(2-bromo-4-chlorophenoxy)methyl]furan-2-carboxylic acid
CID 43235621
3-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid
CID 43351526
3-[(4-bromo-2-chloro-5-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 114270890
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
3-[(3,4-difluorophenoxy)methyl]furan-2-carboxylic acid
CID 43345521
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid (CID 43169570) is 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid is O=C(O)c1occc1COc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid?
The InChIKey is RDXDCKFYORBDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO4/c17-13-5-6-14(12-4-2-1-3-11(12)13)21-9-10-7-8-20-15(10)16(18)19/h1-8H,9H2,(H,18,19).
What are the key properties of 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid?
3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid has a molecular weight of 302.71 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloronaphthalen-1-yl)oxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 43169570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).