2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride

C20H17ClO2 — CID 87347938

IUPAC2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride
SMILESCc1c(CC(=O)Cl)ccc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17ClO2/c1-14-16(12-20(21)22)7-8-17-11-18(9-10-19(14)17)23-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyHEYJNHGBVKOSKT-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.04
Rot. Bonds5

About 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride

2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride (PubChem CID 87347938) has the molecular formula C20H17ClO2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride
PubChem CID87347938
Molecular FormulaC20H17ClO2
Molecular Weight324.81 g/mol
Exact Mass324.09
IUPAC Name2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride
SMILESCc1c(CC(=O)Cl)ccc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H17ClO2/c1-14-16(12-20(21)22)7-8-17-11-18(9-10-19(14)17)23-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyHEYJNHGBVKOSKT-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride 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-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-(2-nitro-5-phenylmethoxyphenyl)acetyl chloride
CID 87823610
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride?
The IUPAC name of 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride (CID 87347938) is 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride.
What is the SMILES notation for 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride?
The canonical SMILES for 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride is Cc1c(CC(=O)Cl)ccc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride?
The InChIKey is HEYJNHGBVKOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO2/c1-14-16(12-20(21)22)7-8-17-11-18(9-10-19(14)17)23-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride?
2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride has a molecular weight of 324.81 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride is sourced from PubChem (CID 87347938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).