2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane

C16H19ClO3 — CID 67768971

IUPAC2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
SMILESC.COc1ccc2cc(CC(=O)OCCCl)ccc2c1
InChIInChI=1S/C15H15ClO3.CH4/c1-18-14-5-4-12-8-11(2-3-13(12)10-14)9-15(17)19-7-6-16;/h2-5,8,10H,6-7,9H2,1H3;1H4
InChIKeyRRRCHMMLCPPJMD-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.81
Rot. Bonds5

About 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane

2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane (PubChem CID 67768971) has the molecular formula C16H19ClO3 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane.

Molecular Properties

Compound Name2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
PubChem CID67768971
Molecular FormulaC16H19ClO3
Molecular Weight294.78 g/mol
Exact Mass294.10
IUPAC Name2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
SMILESC.COc1ccc2cc(CC(=O)OCCCl)ccc2c1
InChIInChI=1S/C15H15ClO3.CH4/c1-18-14-5-4-12-8-11(2-3-13(12)10-14)9-15(17)19-7-6-16;/h2-5,8,10H,6-7,9H2,1H3;1H4
InChIKeyRRRCHMMLCPPJMD-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.81
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

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)acetate
CID 15210967
methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
CID 70261477
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
2-[2-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethoxy]ethyl 5-(dithiolan-3-yl)pentanoate
CID 89122659
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
(dioctylamino) 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 88782104
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
trimethyl-[2-(2-naphthalen-2-ylacetyl)oxyethyl]azanium
CID 15225296
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane?
The IUPAC name of 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane (CID 67768971) is 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane.
What is the SMILES notation for 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane?
The canonical SMILES for 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane is C.COc1ccc2cc(CC(=O)OCCCl)ccc2c1.
What is the InChIKey of 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane?
The InChIKey is RRRCHMMLCPPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3.CH4/c1-18-14-5-4-12-8-11(2-3-13(12)10-14)9-15(17)19-7-6-16;/h2-5,8,10H,6-7,9H2,1H3;1H4.
What are the key properties of 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane?
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane has a molecular weight of 294.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane is sourced from PubChem (CID 67768971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).