2-(4-bromophenyl)-4-(2-methylpropyl)oxane

C15H21BrO — CID 102424296

IUPAC2-(4-bromophenyl)-4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrO/c1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVIKOFUZRKJZUKM-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-bromophenyl)-4-(2-methylpropyl)oxane

2-(4-bromophenyl)-4-(2-methylpropyl)oxane (PubChem CID 102424296) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(2-methylpropyl)oxane
PubChem CID102424296
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(4-bromophenyl)-4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrO/c1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVIKOFUZRKJZUKM-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromophenyl)oxirane
CID 119460
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-(4-Bromophenyl)oxolane
CID 14653181
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(2-methylpropyl)oxane?
The IUPAC name of 2-(4-bromophenyl)-4-(2-methylpropyl)oxane (CID 102424296) is 2-(4-bromophenyl)-4-(2-methylpropyl)oxane.
What is the SMILES notation for 2-(4-bromophenyl)-4-(2-methylpropyl)oxane?
The canonical SMILES for 2-(4-bromophenyl)-4-(2-methylpropyl)oxane is CC(C)CC1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-(2-methylpropyl)oxane?
The InChIKey is VIKOFUZRKJZUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-(2-methylpropyl)oxane?
2-(4-bromophenyl)-4-(2-methylpropyl)oxane has a molecular weight of 297.24 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(2-methylpropyl)oxane is sourced from PubChem (CID 102424296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).