3-(naphthalen-1-yloxymethyl)benzoic acid

C18H14O3 — CID 890753

IUPAC3-(naphthalen-1-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C18H14O3/c19-18(20)15-8-3-5-13(11-15)12-21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H,19,20)
InChIKeyDNEWINHTWSXKJK-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.12
Rot. Bonds4

About 3-(naphthalen-1-yloxymethyl)benzoic acid

3-(naphthalen-1-yloxymethyl)benzoic acid (PubChem CID 890753) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(naphthalen-1-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name3-(naphthalen-1-yloxymethyl)benzoic acid
PubChem CID890753
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name3-(naphthalen-1-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C18H14O3/c19-18(20)15-8-3-5-13(11-15)12-21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H,19,20)
InChIKeyDNEWINHTWSXKJK-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(naphthalen-1-yloxymethyl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-yloxymethyl)benzoic acid?
The IUPAC name of 3-(naphthalen-1-yloxymethyl)benzoic acid (CID 890753) is 3-(naphthalen-1-yloxymethyl)benzoic acid.
What is the SMILES notation for 3-(naphthalen-1-yloxymethyl)benzoic acid?
The canonical SMILES for 3-(naphthalen-1-yloxymethyl)benzoic acid is O=C(O)c1cccc(COc2cccc3ccccc23)c1.
What is the InChIKey of 3-(naphthalen-1-yloxymethyl)benzoic acid?
The InChIKey is DNEWINHTWSXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-18(20)15-8-3-5-13(11-15)12-21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H,19,20).
What are the key properties of 3-(naphthalen-1-yloxymethyl)benzoic acid?
3-(naphthalen-1-yloxymethyl)benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-yloxymethyl)benzoic acid is sourced from PubChem (CID 890753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).