naphthalen-2-ylmethyl 3-methylbenzoate

C19H16O2 — CID 976134

IUPACnaphthalen-2-ylmethyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O2/c1-14-5-4-8-18(11-14)19(20)21-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3
InChIKeyQGEKRMQLMJZBKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.51
Rot. Bonds3

About naphthalen-2-ylmethyl 3-methylbenzoate

naphthalen-2-ylmethyl 3-methylbenzoate (PubChem CID 976134) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 3-methylbenzoate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 3-methylbenzoate
PubChem CID976134
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Namenaphthalen-2-ylmethyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16O2/c1-14-5-4-8-18(11-14)19(20)21-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3
InChIKeyQGEKRMQLMJZBKM-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze naphthalen-2-ylmethyl 3-methylbenzoate 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-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
hydroxymethyl 3-methylbenzoate
CID 54320661
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(3-methylphenyl)methyl quinoline-2-carboxylate
CID 7813134
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
2-(naphthalen-2-ylmethoxycarbonyl)benzoate
CID 71333612
phenylmethoxycarbonylamino 3-methylbenzoate
CID 174511034
benzyl 3,5-dimethylbenzoate
CID 54359872
benzyl 3-hydroxybenzoate
CID 11736317
(3-methylbenzoyl) 3-methylbenzenecarboperoxoate;1,2-xylene
CID 175518678

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 3-methylbenzoate?
The IUPAC name of naphthalen-2-ylmethyl 3-methylbenzoate (CID 976134) is naphthalen-2-ylmethyl 3-methylbenzoate.
What is the SMILES notation for naphthalen-2-ylmethyl 3-methylbenzoate?
The canonical SMILES for naphthalen-2-ylmethyl 3-methylbenzoate is Cc1cccc(C(=O)OCc2ccc3ccccc3c2)c1.
What is the InChIKey of naphthalen-2-ylmethyl 3-methylbenzoate?
The InChIKey is QGEKRMQLMJZBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14-5-4-8-18(11-14)19(20)21-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-12H,13H2,1H3.
What are the key properties of naphthalen-2-ylmethyl 3-methylbenzoate?
naphthalen-2-ylmethyl 3-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 3-methylbenzoate is sourced from PubChem (CID 976134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).