ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate

C15H17ClO3 — CID 66869542

IUPACethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
SMILESCCOC(=O)CC1=C(Cl)CCc2ccc(OC)cc21
InChIInChI=1S/C15H17ClO3/c1-3-19-15(17)9-13-12-8-11(18-2)6-4-10(12)5-7-14(13)16/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyKYRYMMQUEHTJOU-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.54
Rot. Bonds4

About ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate

ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate (PubChem CID 66869542) has the molecular formula C15H17ClO3 and a molecular weight of 280.75 g/mol. Its IUPAC name is ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
PubChem CID66869542
Molecular FormulaC15H17ClO3
Molecular Weight280.75 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate
SMILESCCOC(=O)CC1=C(Cl)CCc2ccc(OC)cc21
InChIInChI=1S/C15H17ClO3/c1-3-19-15(17)9-13-12-8-11(18-2)6-4-10(12)5-7-14(13)16/h4,6,8H,3,5,7,9H2,1-2H3
InChIKeyKYRYMMQUEHTJOU-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate (CID 66869542) is ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate is CCOC(=O)CC1=C(Cl)CCc2ccc(OC)cc21.
What is the InChIKey of ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate?
The InChIKey is KYRYMMQUEHTJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3/c1-3-19-15(17)9-13-12-8-11(18-2)6-4-10(12)5-7-14(13)16/h4,6,8H,3,5,7,9H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate?
ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate has a molecular weight of 280.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-7-methoxy-3,4-dihydronaphthalen-1-yl)acetate is sourced from PubChem (CID 66869542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).