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

Name: 3-[(2-bromocyclohexen-1-yl)methoxy]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅BrO₂ — CID 11011478

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-[(2-bromocyclohexen-1-yl)methoxy]phenol
PubChem CID	11011478
Molecular Formula	C₁₃H₁₅BrO₂
Molecular Weight	283.16 g/mol
Exact Mass	282.03
IUPAC Name	3-[(2-bromocyclohexen-1-yl)methoxy]phenol
SMILES	Oc1cccc(OCC2=C(Br)CCCC2)c1
InChI	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
InChIKey	AKLNWNHXVULTRO-UHFFFAOYSA-N
XLogP	3.99
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.16
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 11011478 — identifiers, structure, computed properties (public domain)

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