(4-prop-2-enylcyclohexyl)methoxybenzene

C16H22O — CID 70544247

IUPAC(4-prop-2-enylcyclohexyl)methoxybenzene
SMILESC=CCC1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H22O/c1-2-6-14-9-11-15(12-10-14)13-17-16-7-4-3-5-8-16/h2-5,7-8,14-15H,1,6,9-13H2
InChIKeyNMVHSUPOONMLLN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.45
Rot. Bonds5

About (4-prop-2-enylcyclohexyl)methoxybenzene

(4-prop-2-enylcyclohexyl)methoxybenzene (PubChem CID 70544247) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (4-prop-2-enylcyclohexyl)methoxybenzene.

Molecular Properties

Compound Name(4-prop-2-enylcyclohexyl)methoxybenzene
PubChem CID70544247
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(4-prop-2-enylcyclohexyl)methoxybenzene
SMILESC=CCC1CCC(COc2ccccc2)CC1
InChIInChI=1S/C16H22O/c1-2-6-14-9-11-15(12-10-14)13-17-16-7-4-3-5-8-16/h2-5,7-8,14-15H,1,6,9-13H2
InChIKeyNMVHSUPOONMLLN-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.45
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 (4-prop-2-enylcyclohexyl)methoxybenzene?
The IUPAC name of (4-prop-2-enylcyclohexyl)methoxybenzene (CID 70544247) is (4-prop-2-enylcyclohexyl)methoxybenzene.
What is the SMILES notation for (4-prop-2-enylcyclohexyl)methoxybenzene?
The canonical SMILES for (4-prop-2-enylcyclohexyl)methoxybenzene is C=CCC1CCC(COc2ccccc2)CC1.
What is the InChIKey of (4-prop-2-enylcyclohexyl)methoxybenzene?
The InChIKey is NMVHSUPOONMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-6-14-9-11-15(12-10-14)13-17-16-7-4-3-5-8-16/h2-5,7-8,14-15H,1,6,9-13H2.
What are the key properties of (4-prop-2-enylcyclohexyl)methoxybenzene?
(4-prop-2-enylcyclohexyl)methoxybenzene has a molecular weight of 230.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylcyclohexyl)methoxybenzene is sourced from PubChem (CID 70544247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).