methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate

C14H13ClO3 — CID 62224921

IUPACmethyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(Cl)c1c(OC)ccc2ccccc12
InChIInChI=1S/C14H13ClO3/c1-17-11-8-7-9-5-3-4-6-10(9)12(11)13(15)14(16)18-2/h3-8,13H,1-2H3
InChIKeyQIJYJPWIWAKJNB-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.30
Rot. Bonds3

About methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate

methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate (PubChem CID 62224921) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
PubChem CID62224921
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(Cl)c1c(OC)ccc2ccccc12
InChIInChI=1S/C14H13ClO3/c1-17-11-8-7-9-5-3-4-6-10(9)12(11)13(15)14(16)18-2/h3-8,13H,1-2H3
InChIKeyQIJYJPWIWAKJNB-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate (CID 62224921) is methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate is COC(=O)C(Cl)c1c(OC)ccc2ccccc12.
What is the InChIKey of methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate?
The InChIKey is QIJYJPWIWAKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-17-11-8-7-9-5-3-4-6-10(9)12(11)13(15)14(16)18-2/h3-8,13H,1-2H3.
What are the key properties of methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate?
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate has a molecular weight of 264.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 62224921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).