1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene

C19H21BrO — CID 166449839

IUPAC1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene
SMILESBrc1ccccc1-c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H21BrO/c20-19-12-5-4-11-18(19)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h4-6,9-13,15H,1-3,7-8,14H2
InChIKeyFFQLGGWXPGLNSL-UHFFFAOYSA-N
MW345.28 g/mol
LogP6.08
Rot. Bonds4

About 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene

1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene (PubChem CID 166449839) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene
PubChem CID166449839
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene
SMILESBrc1ccccc1-c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H21BrO/c20-19-12-5-4-11-18(19)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h4-6,9-13,15H,1-3,7-8,14H2
InChIKeyFFQLGGWXPGLNSL-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
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CID 117330777

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene (CID 166449839) is 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene is Brc1ccccc1-c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene?
The InChIKey is FFQLGGWXPGLNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c20-19-12-5-4-11-18(19)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h4-6,9-13,15H,1-3,7-8,14H2.
What are the key properties of 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene?
1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene has a molecular weight of 345.28 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[3-(cyclohexylmethoxy)phenyl]benzene is sourced from PubChem (CID 166449839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).