3-[(2-bromocyclohexen-1-yl)methoxy]phenol

C13H15BrO2 — CID 11011478

IUPAC3-[(2-bromocyclohexen-1-yl)methoxy]phenol
SMILESOc1cccc(OCC2=C(Br)CCCC2)c1
InChIInChI=1S/C13H15BrO2/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h3,5-6,8,15H,1-2,4,7,9H2
InChIKeyAKLNWNHXVULTRO-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.99
Rot. Bonds3

About 3-[(2-bromocyclohexen-1-yl)methoxy]phenol

3-[(2-bromocyclohexen-1-yl)methoxy]phenol (PubChem CID 11011478) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-[(2-bromocyclohexen-1-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(2-bromocyclohexen-1-yl)methoxy]phenol
PubChem CID11011478
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-[(2-bromocyclohexen-1-yl)methoxy]phenol
SMILESOc1cccc(OCC2=C(Br)CCCC2)c1
InChIInChI=1S/C13H15BrO2/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h3,5-6,8,15H,1-2,4,7,9H2
InChIKeyAKLNWNHXVULTRO-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromocyclohexen-1-yl)methoxy]phenol?
The IUPAC name of 3-[(2-bromocyclohexen-1-yl)methoxy]phenol (CID 11011478) is 3-[(2-bromocyclohexen-1-yl)methoxy]phenol.
What is the SMILES notation for 3-[(2-bromocyclohexen-1-yl)methoxy]phenol?
The canonical SMILES for 3-[(2-bromocyclohexen-1-yl)methoxy]phenol is Oc1cccc(OCC2=C(Br)CCCC2)c1.
What is the InChIKey of 3-[(2-bromocyclohexen-1-yl)methoxy]phenol?
The InChIKey is AKLNWNHXVULTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h3,5-6,8,15H,1-2,4,7,9H2.
What are the key properties of 3-[(2-bromocyclohexen-1-yl)methoxy]phenol?
3-[(2-bromocyclohexen-1-yl)methoxy]phenol has a molecular weight of 283.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromocyclohexen-1-yl)methoxy]phenol is sourced from PubChem (CID 11011478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).