(6-benzylnaphthalen-2-yl) acetate

C19H16O2 — CID 132602814

IUPAC(6-benzylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2cc(Cc3ccccc3)ccc2c1
InChIInChI=1S/C19H16O2/c1-14(20)21-19-10-9-17-12-16(7-8-18(17)13-19)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyUGIKZVFIVSCVPH-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.36
Rot. Bonds3

About (6-benzylnaphthalen-2-yl) acetate

(6-benzylnaphthalen-2-yl) acetate (PubChem CID 132602814) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (6-benzylnaphthalen-2-yl) acetate.

Molecular Properties

Compound Name(6-benzylnaphthalen-2-yl) acetate
PubChem CID132602814
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(6-benzylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2cc(Cc3ccccc3)ccc2c1
InChIInChI=1S/C19H16O2/c1-14(20)21-19-10-9-17-12-16(7-8-18(17)13-19)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyUGIKZVFIVSCVPH-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (6-benzylnaphthalen-2-yl) acetate 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

[6-[2-(benzylamino)ethyl]naphthalen-2-yl] acetate;hydrobromide
CID 70551589
2-benzylnaphthalene
CID 11948
2-benzyl-6-(methoxymethoxy)naphthalene
CID 132602813
(6-octylnaphthalen-2-yl) acetate
CID 23026286
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methyl]phenyl] acetate
CID 58289351
(2-benzyl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 789612
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
(4-benzylsulfanylphenyl) acetate
CID 18982368
O-naphthalen-2-yl 2-[4-[[4-(2-naphthalen-2-yloxy-2-sulfanylideneethyl)phenyl]methyl]phenyl]ethanethioate
CID 148674481
[2-acetyloxy-3-(acetyloxymethyl)-5-benzylphenyl]methyl acetate
CID 57040180
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of (6-benzylnaphthalen-2-yl) acetate?
The IUPAC name of (6-benzylnaphthalen-2-yl) acetate (CID 132602814) is (6-benzylnaphthalen-2-yl) acetate.
What is the SMILES notation for (6-benzylnaphthalen-2-yl) acetate?
The canonical SMILES for (6-benzylnaphthalen-2-yl) acetate is CC(=O)Oc1ccc2cc(Cc3ccccc3)ccc2c1.
What is the InChIKey of (6-benzylnaphthalen-2-yl) acetate?
The InChIKey is UGIKZVFIVSCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14(20)21-19-10-9-17-12-16(7-8-18(17)13-19)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of (6-benzylnaphthalen-2-yl) acetate?
(6-benzylnaphthalen-2-yl) acetate has a molecular weight of 276.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzylnaphthalen-2-yl) acetate is sourced from PubChem (CID 132602814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).