1-bromo-4-phenylmethoxy-2-propylbenzene

C16H17BrO — CID 58754092

IUPAC1-bromo-4-phenylmethoxy-2-propylbenzene
SMILESCCCc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrO/c1-2-6-14-11-15(9-10-16(14)17)18-12-13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3
InChIKeyMRCFHPISOQBADQ-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.98
Rot. Bonds5

About 1-bromo-4-phenylmethoxy-2-propylbenzene

1-bromo-4-phenylmethoxy-2-propylbenzene (PubChem CID 58754092) has the molecular formula C16H17BrO and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-bromo-4-phenylmethoxy-2-propylbenzene.

Molecular Properties

Compound Name1-bromo-4-phenylmethoxy-2-propylbenzene
PubChem CID58754092
Molecular FormulaC16H17BrO
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-bromo-4-phenylmethoxy-2-propylbenzene
SMILESCCCc1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrO/c1-2-6-14-11-15(9-10-16(14)17)18-12-13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3
InChIKeyMRCFHPISOQBADQ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-5-phenylmethoxybenzoic acid
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CID 53483706
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
1-phenylmethoxy-4-propoxybenzene
CID 10728874
(3S)-1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
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CID 640595
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenylmethoxy-2-propylbenzene?
The IUPAC name of 1-bromo-4-phenylmethoxy-2-propylbenzene (CID 58754092) is 1-bromo-4-phenylmethoxy-2-propylbenzene.
What is the SMILES notation for 1-bromo-4-phenylmethoxy-2-propylbenzene?
The canonical SMILES for 1-bromo-4-phenylmethoxy-2-propylbenzene is CCCc1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-bromo-4-phenylmethoxy-2-propylbenzene?
The InChIKey is MRCFHPISOQBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-2-6-14-11-15(9-10-16(14)17)18-12-13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3.
What are the key properties of 1-bromo-4-phenylmethoxy-2-propylbenzene?
1-bromo-4-phenylmethoxy-2-propylbenzene has a molecular weight of 305.21 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenylmethoxy-2-propylbenzene is sourced from PubChem (CID 58754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).