2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole

C14H11BrO2 — CID 141067188

IUPAC2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole
SMILESCC1(c2ccc3ccccc3c2Br)OC=CO1
InChIInChI=1S/C14H11BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-9H,1H3
InChIKeyGFMOMZFCTKSSIG-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.29
Rot. Bonds1

About 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole

2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole (PubChem CID 141067188) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole
PubChem CID141067188
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole
SMILESCC1(c2ccc3ccccc3c2Br)OC=CO1
InChIInChI=1S/C14H11BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-9H,1H3
InChIKeyGFMOMZFCTKSSIG-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene
CID 73241797
[(4S,5S)-5-[(1-bromonaphthalene-2-carbonyl)oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 1-bromonaphthalene-2-carboxylate
CID 13312309
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
CID 71484457
1-bromo-2-phenylnaphthalene
CID 10956972
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
12-[(4R,5R)-5-(12-hydroxy-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 135082637

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole (CID 141067188) is 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole is CC1(c2ccc3ccccc3c2Br)OC=CO1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole?
The InChIKey is GFMOMZFCTKSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-9H,1H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole?
2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole has a molecular weight of 291.14 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole is sourced from PubChem (CID 141067188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).