(3-bromonaphthalen-2-yl)methyl formate

C12H9BrO2 — CID 175095690

IUPAC(3-bromonaphthalen-2-yl)methyl formate
SMILESO=COCc1cc2ccccc2cc1Br
InChIInChI=1S/C12H9BrO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2
InChIKeyPGIZERCOSCFFTI-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.28
Rot. Bonds3

About (3-bromonaphthalen-2-yl)methyl formate

(3-bromonaphthalen-2-yl)methyl formate (PubChem CID 175095690) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is (3-bromonaphthalen-2-yl)methyl formate.

Molecular Properties

Compound Name(3-bromonaphthalen-2-yl)methyl formate
PubChem CID175095690
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name(3-bromonaphthalen-2-yl)methyl formate
SMILESO=COCc1cc2ccccc2cc1Br
InChIInChI=1S/C12H9BrO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2
InChIKeyPGIZERCOSCFFTI-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-chloronaphthalen-2-yl)methyl formate
CID 174885528
anthracen-1-ylmethyl formate
CID 54364674
(2,3-dibromophenyl)methyl formate
CID 173425977
(2-sulfanylphenyl)methyl formate
CID 59818998
(3-bromonaphthalen-2-yl)methoxymethyl-trifluoroboranuide
CID 87493904
[4,5-bis(bromomethyl)-2-(formyloxymethyl)phenyl]methyl formate
CID 58245698
1-benzofuran-2-ylmethyl formate
CID 18617223
(2-prop-2-enylphenyl)methyl formate
CID 173226102
(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
CID 174343361
2-naphthalen-2-yloxyethyl formate
CID 54350487
15-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaen-10-ylmethyl formate
CID 121444415
methylcyclohexane;naphthalen-1-ylmethyl formate
CID 163395857

Frequently Asked Questions

What is the IUPAC name of (3-bromonaphthalen-2-yl)methyl formate?
The IUPAC name of (3-bromonaphthalen-2-yl)methyl formate (CID 175095690) is (3-bromonaphthalen-2-yl)methyl formate.
What is the SMILES notation for (3-bromonaphthalen-2-yl)methyl formate?
The canonical SMILES for (3-bromonaphthalen-2-yl)methyl formate is O=COCc1cc2ccccc2cc1Br.
What is the InChIKey of (3-bromonaphthalen-2-yl)methyl formate?
The InChIKey is PGIZERCOSCFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2.
What are the key properties of (3-bromonaphthalen-2-yl)methyl formate?
(3-bromonaphthalen-2-yl)methyl formate has a molecular weight of 265.11 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromonaphthalen-2-yl)methyl formate is sourced from PubChem (CID 175095690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).