methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate

C25H23ClO4 — CID 12531865

IUPACmethyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate
SMILESCOC(=O)C(Oc1cccc2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClO4/c1-28-25(27)24(30-23-8-4-6-17-5-2-3-7-22(17)23)18-9-13-20(14-10-18)29-21-15-11-19(26)12-16-21/h4,6,8-16,24H,2-3,5,7H2,1H3
InChIKeyQFKWDACCAJYSTP-UHFFFAOYSA-N
MW422.91 g/mol
LogP6.30
Rot. Bonds6

About methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate

methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate (PubChem CID 12531865) has the molecular formula C25H23ClO4 and a molecular weight of 422.91 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate
PubChem CID12531865
Molecular FormulaC25H23ClO4
Molecular Weight422.91 g/mol
Exact Mass422.13
IUPAC Namemethyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate
SMILESCOC(=O)C(Oc1cccc2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClO4/c1-28-25(27)24(30-23-8-4-6-17-5-2-3-7-22(17)23)18-9-13-20(14-10-18)29-21-15-11-19(26)12-16-21/h4,6,8-16,24H,2-3,5,7H2,1H3
InChIKeyQFKWDACCAJYSTP-UHFFFAOYSA-N
XLogP6.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate with MolForge

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Related Compounds

7-(3-(2-Propyl-4-(4-chlorophenoxy)phenoxy)propoxy)-2-ethylchromane-2-carboxylic acid
CID 10301814
(+/-)-2-(4-Chlorophenoxy)-3-(3-phenoxyphenyl)propanoic acid
CID 25110733
(+/-)-2-(4-Chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 25110744
(R)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 44590001
(S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 44590002
3-[4-(4-Chloronaphthalen-1-yl)oxyphenyl]-3-ethoxypropanoic acid
CID 122185445
2-(4-Chlorophenoxy)-3-(2-propylphenyl)propanoic acid
CID 44589851
(+/-)-2-(4-Chlorophenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 44589899
Methyl(p-chlorophenoxy)[p-(p-chlorophenoxy)phenyl]acetate
CID 12531843
Methyl alpha-(phenoxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531844
Methyl alpha-(p-tert-butylphenoxy)-alpha-[p-(4-chlorophenoxy)phenyl]acetate
CID 12531845
Methyl 2-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetate
CID 12531846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate?
The IUPAC name of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate (CID 12531865) is methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate is COC(=O)C(Oc1cccc2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate?
The InChIKey is QFKWDACCAJYSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClO4/c1-28-25(27)24(30-23-8-4-6-17-5-2-3-7-22(17)23)18-9-13-20(14-10-18)29-21-15-11-19(26)12-16-21/h4,6,8-16,24H,2-3,5,7H2,1H3.
What are the key properties of methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate?
methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate has a molecular weight of 422.91 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetate is sourced from PubChem (CID 12531865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).