1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene

C17H17BrO2 — CID 66642620

IUPAC1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene
SMILESC=C(C)COc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C17H17BrO2/c1-13(2)11-20-17-10-15(8-9-16(17)18)19-12-14-6-4-3-5-7-14/h3-10H,1,11-12H2,2H3
InChIKeyQPNFJPXZTNKKGR-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.98
Rot. Bonds6

About 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene

1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene (PubChem CID 66642620) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene
PubChem CID66642620
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene
SMILESC=C(C)COc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C17H17BrO2/c1-13(2)11-20-17-10-15(8-9-16(17)18)19-12-14-6-4-3-5-7-14/h3-10H,1,11-12H2,2H3
InChIKeyQPNFJPXZTNKKGR-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-[4-[(4-bromo-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 20986298
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene?
The IUPAC name of 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene (CID 66642620) is 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene is C=C(C)COc1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene?
The InChIKey is QPNFJPXZTNKKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-13(2)11-20-17-10-15(8-9-16(17)18)19-12-14-6-4-3-5-7-14/h3-10H,1,11-12H2,2H3.
What are the key properties of 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene?
1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene has a molecular weight of 333.23 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene is sourced from PubChem (CID 66642620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).