1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene

C17H22O — CID 101145229

IUPAC1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene
SMILESC=C(C)[C@H]1CC=C(C)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22O/c1-12(2)15-6-5-13(3)17(11-15)14-7-9-16(18-4)10-8-14/h5,7-10,15,17H,1,6,11H2,2-4H3/t15-,17+/m0/s1
InChIKeyFTWNPHSDSJVAHQ-DOTOQJQBSA-N
MW242.36 g/mol
LogP4.71
Rot. Bonds3

About 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene

1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene (PubChem CID 101145229) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene
PubChem CID101145229
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene
SMILESC=C(C)[C@H]1CC=C(C)[C@H](c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22O/c1-12(2)15-6-5-13(3)17(11-15)14-7-9-16(18-4)10-8-14/h5,7-10,15,17H,1,6,11H2,2-4H3/t15-,17+/m0/s1
InChIKeyFTWNPHSDSJVAHQ-DOTOQJQBSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene (CID 101145229) is 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene is C=C(C)[C@H]1CC=C(C)[C@H](c2ccc(OC)cc2)C1.
What is the InChIKey of 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene?
The InChIKey is FTWNPHSDSJVAHQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H22O/c1-12(2)15-6-5-13(3)17(11-15)14-7-9-16(18-4)10-8-14/h5,7-10,15,17H,1,6,11H2,2-4H3/t15-,17+/m0/s1.
What are the key properties of 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene?
1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene has a molecular weight of 242.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 101145229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).