propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C15H19BrO2 — CID 82550470

IUPACpropan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cc2c(cc1Br)CCCC2
InChIInChI=1S/C15H19BrO2/c1-10(2)18-15(17)9-13-7-11-5-3-4-6-12(11)8-14(13)16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyDGTRMZPTKCZXHF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.82
Rot. Bonds3

About propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate

propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 82550470) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID82550470
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Namepropan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cc2c(cc1Br)CCCC2
InChIInChI=1S/C15H19BrO2/c1-10(2)18-15(17)9-13-7-11-5-3-4-6-12(11)8-14(13)16/h7-8,10H,3-6,9H2,1-2H3
InChIKeyDGTRMZPTKCZXHF-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 82550470) is propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CC(C)OC(=O)Cc1cc2c(cc1Br)CCCC2.
What is the InChIKey of propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is DGTRMZPTKCZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-10(2)18-15(17)9-13-7-11-5-3-4-6-12(11)8-14(13)16/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 311.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 82550470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).