(2-chlorocyclohexen-1-yl)methoxybenzene

C13H15ClO — CID 86191372

IUPAC(2-chlorocyclohexen-1-yl)methoxybenzene
SMILESClC1=C(COc2ccccc2)CCCC1
InChIInChI=1S/C13H15ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-3,7-8H,4-6,9-10H2
InChIKeyWXXMBZANMRHWGX-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.13
Rot. Bonds3

About (2-chlorocyclohexen-1-yl)methoxybenzene

(2-chlorocyclohexen-1-yl)methoxybenzene (PubChem CID 86191372) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is (2-chlorocyclohexen-1-yl)methoxybenzene.

Molecular Properties

Compound Name(2-chlorocyclohexen-1-yl)methoxybenzene
PubChem CID86191372
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name(2-chlorocyclohexen-1-yl)methoxybenzene
SMILESClC1=C(COc2ccccc2)CCCC1
InChIInChI=1S/C13H15ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-3,7-8H,4-6,9-10H2
InChIKeyWXXMBZANMRHWGX-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohexen-1-yl)methoxybenzene?
The IUPAC name of (2-chlorocyclohexen-1-yl)methoxybenzene (CID 86191372) is (2-chlorocyclohexen-1-yl)methoxybenzene.
What is the SMILES notation for (2-chlorocyclohexen-1-yl)methoxybenzene?
The canonical SMILES for (2-chlorocyclohexen-1-yl)methoxybenzene is ClC1=C(COc2ccccc2)CCCC1.
What is the InChIKey of (2-chlorocyclohexen-1-yl)methoxybenzene?
The InChIKey is WXXMBZANMRHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-3,7-8H,4-6,9-10H2.
What are the key properties of (2-chlorocyclohexen-1-yl)methoxybenzene?
(2-chlorocyclohexen-1-yl)methoxybenzene has a molecular weight of 222.72 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexen-1-yl)methoxybenzene is sourced from PubChem (CID 86191372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).