3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid

C17H14O4 — CID 678938

IUPAC3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
SMILESCc1cc(COc2ccc3ccccc3c2)oc1C(=O)O
InChIInChI=1S/C17H14O4/c1-11-8-15(21-16(11)17(18)19)10-20-14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyISHRVFPLSNHNPU-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.02
Rot. Bonds4

About 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid

3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid (PubChem CID 678938) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
PubChem CID678938
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
SMILESCc1cc(COc2ccc3ccccc3c2)oc1C(=O)O
InChIInChI=1S/C17H14O4/c1-11-8-15(21-16(11)17(18)19)10-20-14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyISHRVFPLSNHNPU-UHFFFAOYSA-N
XLogP4.02
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dichlorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620839
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620851
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 61398917
5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 62785010
3-methyl-5-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid
CID 43620919
5-[(2-butan-2-ylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620735
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
5-[[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]-3-methylfuran-2-carboxylic acid
CID 75534663
3-methyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid
CID 103288809
3-methyl-5-[(2,3,5-trimethylphenoxy)methyl]furan-2-carboxylic acid
CID 43620802
5-[(2,4-dibromophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620837

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid (CID 678938) is 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid is Cc1cc(COc2ccc3ccccc3c2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid?
The InChIKey is ISHRVFPLSNHNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-11-8-15(21-16(11)17(18)19)10-20-14-7-6-12-4-2-3-5-13(12)9-14/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid?
3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 678938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).