(4-methylcyclohex-2-en-1-yl)oxybenzene

C13H16O — CID 54323579

IUPAC(4-methylcyclohex-2-en-1-yl)oxybenzene
SMILESCC1C=CC(Oc2ccccc2)CC1
InChIInChI=1S/C13H16O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9,11,13H,8,10H2,1H3
InChIKeyJDTHBIXJMNHBMU-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.42
Rot. Bonds2

About (4-methylcyclohex-2-en-1-yl)oxybenzene

(4-methylcyclohex-2-en-1-yl)oxybenzene (PubChem CID 54323579) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-methylcyclohex-2-en-1-yl)oxybenzene.

Molecular Properties

Compound Name(4-methylcyclohex-2-en-1-yl)oxybenzene
PubChem CID54323579
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4-methylcyclohex-2-en-1-yl)oxybenzene
SMILESCC1C=CC(Oc2ccccc2)CC1
InChIInChI=1S/C13H16O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9,11,13H,8,10H2,1H3
InChIKeyJDTHBIXJMNHBMU-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-4-phenoxycyclohex-2-en-1-ol
CID 11063214
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
(3-methylcyclobutyl)oxybenzene
CID 126670705
2-phenoxycyclobutan-1-one
CID 12791410
CID 58662919
CID 58662919
ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
CID 160603603
(2R)-2-phenoxyoxetane
CID 154469207
3-methyl-6-phenoxycyclohex-2-en-1-one
CID 139765945
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
N-methyl-4-phenoxy-N-(4-phenoxycyclohexyl)cyclohexan-1-amine
CID 155434431
4-phenoxypiperidin-1-ium
CID 38988695
magnesium;cyclohexyloxybenzene;hydride
CID 174438663

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohex-2-en-1-yl)oxybenzene?
The IUPAC name of (4-methylcyclohex-2-en-1-yl)oxybenzene (CID 54323579) is (4-methylcyclohex-2-en-1-yl)oxybenzene.
What is the SMILES notation for (4-methylcyclohex-2-en-1-yl)oxybenzene?
The canonical SMILES for (4-methylcyclohex-2-en-1-yl)oxybenzene is CC1C=CC(Oc2ccccc2)CC1.
What is the InChIKey of (4-methylcyclohex-2-en-1-yl)oxybenzene?
The InChIKey is JDTHBIXJMNHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-7,9,11,13H,8,10H2,1H3.
What are the key properties of (4-methylcyclohex-2-en-1-yl)oxybenzene?
(4-methylcyclohex-2-en-1-yl)oxybenzene has a molecular weight of 188.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohex-2-en-1-yl)oxybenzene is sourced from PubChem (CID 54323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).