1-bromo-3-(2-ethylcyclohexyl)oxybenzene

C14H19BrO — CID 63863406

IUPAC1-bromo-3-(2-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCCC1Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrO/c1-2-11-6-3-4-9-14(11)16-13-8-5-7-12(15)10-13/h5,7-8,10-11,14H,2-4,6,9H2,1H3
InChIKeyICEMQWAXGZRVEL-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.80
Rot. Bonds3

About 1-bromo-3-(2-ethylcyclohexyl)oxybenzene

1-bromo-3-(2-ethylcyclohexyl)oxybenzene (PubChem CID 63863406) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-3-(2-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-bromo-3-(2-ethylcyclohexyl)oxybenzene
PubChem CID63863406
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-bromo-3-(2-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCCC1Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrO/c1-2-11-6-3-4-9-14(11)16-13-8-5-7-12(15)10-13/h5,7-8,10-11,14H,2-4,6,9H2,1H3
InChIKeyICEMQWAXGZRVEL-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
3-bromo-5-(2-ethylcyclohexyl)oxyaniline
CID 103588346
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863196
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
CID 55192868
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
5-(2-ethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683560

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-ethylcyclohexyl)oxybenzene?
The IUPAC name of 1-bromo-3-(2-ethylcyclohexyl)oxybenzene (CID 63863406) is 1-bromo-3-(2-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-bromo-3-(2-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 1-bromo-3-(2-ethylcyclohexyl)oxybenzene is CCC1CCCCC1Oc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-ethylcyclohexyl)oxybenzene?
The InChIKey is ICEMQWAXGZRVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-2-11-6-3-4-9-14(11)16-13-8-5-7-12(15)10-13/h5,7-8,10-11,14H,2-4,6,9H2,1H3.
What are the key properties of 1-bromo-3-(2-ethylcyclohexyl)oxybenzene?
1-bromo-3-(2-ethylcyclohexyl)oxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 63863406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).