methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate

C15H13BrO2 — CID 89448912

IUPACmethyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C15H13BrO2/c1-18-14(17)15(6-7-15)12-4-2-11-9-13(16)5-3-10(11)8-12/h2-5,8-9H,6-7H2,1H3
InChIKeyMPZQSNMKWHPOBY-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.81
Rot. Bonds2

About methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate

methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate (PubChem CID 89448912) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
PubChem CID89448912
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Namemethyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C15H13BrO2/c1-18-14(17)15(6-7-15)12-4-2-11-9-13(16)5-3-10(11)8-12/h2-5,8-9H,6-7H2,1H3
InChIKeyMPZQSNMKWHPOBY-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate (CID 89448912) is methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is MPZQSNMKWHPOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-18-14(17)15(6-7-15)12-4-2-11-9-13(16)5-3-10(11)8-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate?
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 305.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 89448912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).