(3-methoxycyclohexen-1-yl)benzene

C13H16O — CID 24976812

IUPAC(3-methoxycyclohexen-1-yl)benzene
SMILESCOC1C=C(c2ccccc2)CCC1
InChIInChI=1S/C13H16O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyTWTHBSIILQFGGA-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds2

About (3-methoxycyclohexen-1-yl)benzene

(3-methoxycyclohexen-1-yl)benzene (PubChem CID 24976812) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (3-methoxycyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(3-methoxycyclohexen-1-yl)benzene
PubChem CID24976812
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(3-methoxycyclohexen-1-yl)benzene
SMILESCOC1C=C(c2ccccc2)CCC1
InChIInChI=1S/C13H16O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyTWTHBSIILQFGGA-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexen-1-yl)benzene?
The IUPAC name of (3-methoxycyclohexen-1-yl)benzene (CID 24976812) is (3-methoxycyclohexen-1-yl)benzene.
What is the SMILES notation for (3-methoxycyclohexen-1-yl)benzene?
The canonical SMILES for (3-methoxycyclohexen-1-yl)benzene is COC1C=C(c2ccccc2)CCC1.
What is the InChIKey of (3-methoxycyclohexen-1-yl)benzene?
The InChIKey is TWTHBSIILQFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3.
What are the key properties of (3-methoxycyclohexen-1-yl)benzene?
(3-methoxycyclohexen-1-yl)benzene has a molecular weight of 188.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexen-1-yl)benzene is sourced from PubChem (CID 24976812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).