(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate

C19H15ClO2 — CID 165364396

IUPAC(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClO2/c20-17-10-8-14(9-11-17)13-22-19(21)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-11H,12-13H2
InChIKeyQCQORFRNNXNSHA-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.78
Rot. Bonds4

About (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate

(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate (PubChem CID 165364396) has the molecular formula C19H15ClO2 and a molecular weight of 310.78 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
PubChem CID165364396
Molecular FormulaC19H15ClO2
Molecular Weight310.78 g/mol
Exact Mass310.08
IUPAC Name(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClO2/c20-17-10-8-14(9-11-17)13-22-19(21)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-11H,12-13H2
InChIKeyQCQORFRNNXNSHA-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate 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

2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-naphthalen-1-ylacetate
CID 18267753
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
naphthalen-1-ylmethyl propanoate
CID 13262702
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
(4-chlorophenyl)methyl 2-phenylsulfanylacetate
CID 533039
4-(2-oxo-2-phenylmethoxyethyl)naphthalene-1-carboxylic acid
CID 174545200

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate?
The IUPAC name of (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate (CID 165364396) is (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate is O=C(Cc1cccc2ccccc12)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate?
The InChIKey is QCQORFRNNXNSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO2/c20-17-10-8-14(9-11-17)13-22-19(21)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-11H,12-13H2.
What are the key properties of (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate?
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate has a molecular weight of 310.78 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-naphthalen-1-ylacetate is sourced from PubChem (CID 165364396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).