2-(naphthalen-1-yloxymethyl)benzoic acid

C18H14O3 — CID 43473128

IUPAC2-(naphthalen-1-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COc1cccc2ccccc12
InChIInChI=1S/C18H14O3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H,19,20)
InChIKeyNXYVULKLCUXOJM-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.12
Rot. Bonds4

About 2-(naphthalen-1-yloxymethyl)benzoic acid

2-(naphthalen-1-yloxymethyl)benzoic acid (PubChem CID 43473128) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-yloxymethyl)benzoic acid
PubChem CID43473128
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-(naphthalen-1-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COc1cccc2ccccc12
InChIInChI=1S/C18H14O3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H,19,20)
InChIKeyNXYVULKLCUXOJM-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

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Related Compounds

2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid
CID 46203274
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxymethyl)benzoic acid?
The IUPAC name of 2-(naphthalen-1-yloxymethyl)benzoic acid (CID 43473128) is 2-(naphthalen-1-yloxymethyl)benzoic acid.
What is the SMILES notation for 2-(naphthalen-1-yloxymethyl)benzoic acid?
The canonical SMILES for 2-(naphthalen-1-yloxymethyl)benzoic acid is O=C(O)c1ccccc1COc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-yloxymethyl)benzoic acid?
The InChIKey is NXYVULKLCUXOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H,19,20).
What are the key properties of 2-(naphthalen-1-yloxymethyl)benzoic acid?
2-(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 2-(naphthalen-1-yloxymethyl)benzoic acid is sourced from PubChem (CID 43473128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).