benzyl naphthalene-2-carboxylate

C18H14O2 — CID 6452844

IUPACbenzyl naphthalene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeyNNHOWTWENRJEMQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.20
Rot. Bonds3

About benzyl naphthalene-2-carboxylate

benzyl naphthalene-2-carboxylate (PubChem CID 6452844) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl naphthalene-2-carboxylate.

Molecular Properties

Compound Namebenzyl naphthalene-2-carboxylate
PubChem CID6452844
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Namebenzyl naphthalene-2-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeyNNHOWTWENRJEMQ-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl naphthalene-2-carboxylate?
The IUPAC name of benzyl naphthalene-2-carboxylate (CID 6452844) is benzyl naphthalene-2-carboxylate.
What is the SMILES notation for benzyl naphthalene-2-carboxylate?
The canonical SMILES for benzyl naphthalene-2-carboxylate is O=C(OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of benzyl naphthalene-2-carboxylate?
The InChIKey is NNHOWTWENRJEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2.
What are the key properties of benzyl naphthalene-2-carboxylate?
benzyl naphthalene-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl naphthalene-2-carboxylate is sourced from PubChem (CID 6452844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).