1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene

C14H17BrO — CID 135085868

IUPAC1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene
SMILESCCc1cccc(OC2CCCC=C2Br)c1
InChIInChI=1S/C14H17BrO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-8,10,14H,2-4,9H2,1H3
InChIKeyNYMRWGBQZJBXDL-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.46
Rot. Bonds3

About 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene

1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene (PubChem CID 135085868) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene.

Molecular Properties

Compound Name1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene
PubChem CID135085868
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene
SMILESCCc1cccc(OC2CCCC=C2Br)c1
InChIInChI=1S/C14H17BrO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-8,10,14H,2-4,9H2,1H3
InChIKeyNYMRWGBQZJBXDL-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64765854
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene?
The IUPAC name of 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene (CID 135085868) is 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene.
What is the SMILES notation for 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene?
The canonical SMILES for 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene is CCc1cccc(OC2CCCC=C2Br)c1.
What is the InChIKey of 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene?
The InChIKey is NYMRWGBQZJBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-2-11-6-5-7-12(10-11)16-14-9-4-3-8-13(14)15/h5-8,10,14H,2-4,9H2,1H3.
What are the key properties of 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene?
1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene has a molecular weight of 281.19 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene is sourced from PubChem (CID 135085868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).