1-bromo-3-cyclohexyloxybenzene

C12H15BrO — CID 30052840

IUPAC1-bromo-3-cyclohexyloxybenzene
SMILESBrc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C12H15BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2
InChIKeyQCJOPZDBOHXVJO-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.16
Rot. Bonds2

About 1-bromo-3-cyclohexyloxybenzene

1-bromo-3-cyclohexyloxybenzene (PubChem CID 30052840) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-3-cyclohexyloxybenzene.

Molecular Properties

Compound Name1-bromo-3-cyclohexyloxybenzene
PubChem CID30052840
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-cyclohexyloxybenzene
SMILESBrc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C12H15BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2
InChIKeyQCJOPZDBOHXVJO-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromodiphenyl Ether
CID 7565
Bde 47
CID 95170
4,4'-Dibromodiphenyl ether
CID 16305
2,4,4'-Tribromodiphenyl ether
CID 12110098
4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
Bde 100
CID 154083
Tribromodiphenyl ether (mixed isomers)
CID 39506
3-Bromoanisole
CID 16971
Benzene, (2-bromoethoxy)-
CID 68526
Benzene, 2-bromo-1,4-dimethoxy-
CID 91353
Allyl 2,4,6-tribromophenyl ether
CID 76767

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclohexyloxybenzene?
The IUPAC name of 1-bromo-3-cyclohexyloxybenzene (CID 30052840) is 1-bromo-3-cyclohexyloxybenzene.
What is the SMILES notation for 1-bromo-3-cyclohexyloxybenzene?
The canonical SMILES for 1-bromo-3-cyclohexyloxybenzene is Brc1cccc(OC2CCCCC2)c1.
What is the InChIKey of 1-bromo-3-cyclohexyloxybenzene?
The InChIKey is QCJOPZDBOHXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2.
What are the key properties of 1-bromo-3-cyclohexyloxybenzene?
1-bromo-3-cyclohexyloxybenzene has a molecular weight of 255.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclohexyloxybenzene is sourced from PubChem (CID 30052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).