1-cyclohex-2-en-1-yloxy-3-methylbenzene

C13H16O — CID 91516514

IUPAC1-cyclohex-2-en-1-yloxy-3-methylbenzene
SMILESCc1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C13H16O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h3,5-7,9-10,12H,2,4,8H2,1H3
InChIKeyYOUGNMCIZKDIBW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.48
Rot. Bonds2

About 1-cyclohex-2-en-1-yloxy-3-methylbenzene

1-cyclohex-2-en-1-yloxy-3-methylbenzene (PubChem CID 91516514) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yloxy-3-methylbenzene.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yloxy-3-methylbenzene
PubChem CID91516514
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-cyclohex-2-en-1-yloxy-3-methylbenzene
SMILESCc1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C13H16O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h3,5-7,9-10,12H,2,4,8H2,1H3
InChIKeyYOUGNMCIZKDIBW-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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

(3-methylphenoxy)cyclononane
CID 145391482
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 114619807
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
[(3-cyclohex-2-en-1-yloxybenzoyl)amino] 2,2-dimethylpropanoate
CID 102234788
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
N-[(2-bromo-5-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619885
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
2-chloro-5-cyclohex-2-en-1-yloxybenzoic acid
CID 106500787
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
CID 107284123

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yloxy-3-methylbenzene?
The IUPAC name of 1-cyclohex-2-en-1-yloxy-3-methylbenzene (CID 91516514) is 1-cyclohex-2-en-1-yloxy-3-methylbenzene.
What is the SMILES notation for 1-cyclohex-2-en-1-yloxy-3-methylbenzene?
The canonical SMILES for 1-cyclohex-2-en-1-yloxy-3-methylbenzene is Cc1cccc(OC2C=CCCC2)c1.
What is the InChIKey of 1-cyclohex-2-en-1-yloxy-3-methylbenzene?
The InChIKey is YOUGNMCIZKDIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h3,5-7,9-10,12H,2,4,8H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yloxy-3-methylbenzene?
1-cyclohex-2-en-1-yloxy-3-methylbenzene has a molecular weight of 188.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yloxy-3-methylbenzene is sourced from PubChem (CID 91516514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).