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

C14H13BrO2 — CID 23014636

IUPAC2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3ccccc3c2Br)OCCO1
InChIInChI=1S/C14H13BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-7H,8-9H2,1H3
InChIKeyZNGLVFITUWXRMO-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.82
Rot. Bonds1

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

2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane (PubChem CID 23014636) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
PubChem CID23014636
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc3ccccc3c2Br)OCCO1
InChIInChI=1S/C14H13BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-7H,8-9H2,1H3
InChIKeyZNGLVFITUWXRMO-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane
CID 383349
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351
1-Bromo-2-(methoxymethyl)naphthalene
CID 12385765
(2S,4S)-4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-naphthalen-2-yl-1,3-dioxolane
CID 168330162
(2S,4R)-4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-naphthalen-2-yl-1,3-dioxolane
CID 168330163
2-(3-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 10709691
1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CID 11241979
2-Naphthalen-2-yl-1,3-dioxolane
CID 11333127
2-Methyl-2-(naphthalen-2-yl)-1,3-dioxolane
CID 12494640
2-[3-Bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
CID 146570495
1-Bromo-3-[2,2,2-trifluoro-1-(methoxymethoxy)ethyl]naphthalene
CID 164519749
1-Bromo-8-fluoro-3-(methoxymethyl)naphthalene
CID 168190860

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane (CID 23014636) is 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane is CC1(c2ccc3ccccc3c2Br)OCCO1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane?
The InChIKey is ZNGLVFITUWXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-14(16-8-9-17-14)12-7-6-10-4-2-3-5-11(10)13(12)15/h2-7H,8-9H2,1H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane?
2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxolane has a molecular weight of 293.16 g/mol, XLogP of 3.82, 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-dioxolane is sourced from PubChem (CID 23014636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).