1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene

C16H17BrO — CID 162421142

IUPAC1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17BrO/c1-12(2)14-8-15(17)10-16(9-14)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyMBWXGDVKYRBLEM-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.15
Rot. Bonds4

About 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene

1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene (PubChem CID 162421142) has the molecular formula C16H17BrO and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
PubChem CID162421142
Molecular FormulaC16H17BrO
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H17BrO/c1-12(2)14-8-15(17)10-16(9-14)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyMBWXGDVKYRBLEM-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dibromo-5-phenylmethoxybenzene;trimethyl-(3-phenylmethoxy-5-trimethylsilylphenyl)silane
CID 158971127
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
3-bromo-5-phenylmethoxypyridine
CID 15389198
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
CID 139225242
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
CID 68838926

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene?
The IUPAC name of 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene (CID 162421142) is 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene is CC(C)c1cc(Br)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene?
The InChIKey is MBWXGDVKYRBLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-12(2)14-8-15(17)10-16(9-14)18-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene?
1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene has a molecular weight of 305.21 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 162421142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).