2-prop-2-enyl-4-(4-propylcyclohexyl)phenol

C18H26O — CID 57348500

IUPAC2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
SMILESC=CCc1cc(C2CCC(CCC)CC2)ccc1O
InChIInChI=1S/C18H26O/c1-3-5-14-7-9-15(10-8-14)16-11-12-18(19)17(13-16)6-4-2/h4,11-15,19H,2-3,5-10H2,1H3
InChIKeyMKARXFQFRHRMKB-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.19
Rot. Bonds5

About 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol

2-prop-2-enyl-4-(4-propylcyclohexyl)phenol (PubChem CID 57348500) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol.

Molecular Properties

Compound Name2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
PubChem CID57348500
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
SMILESC=CCc1cc(C2CCC(CCC)CC2)ccc1O
InChIInChI=1S/C18H26O/c1-3-5-14-7-9-15(10-8-14)16-11-12-18(19)17(13-16)6-4-2/h4,11-15,19H,2-3,5-10H2,1H3
InChIKeyMKARXFQFRHRMKB-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)phenol
CID 67892471
4-cyclopropyl-2-ethylphenol
CID 22039039
1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67893415
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
2-(4-prop-2-enylphenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837174
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
2-fluoro-4-(4-propylcyclohexyl)-1-[(2E,4E)-5-(4-propylcyclohexyl)hepta-2,4,6-trien-2-yl]benzene
CID 143091542
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol?
The IUPAC name of 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol (CID 57348500) is 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol.
What is the SMILES notation for 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol?
The canonical SMILES for 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol is C=CCc1cc(C2CCC(CCC)CC2)ccc1O.
What is the InChIKey of 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol?
The InChIKey is MKARXFQFRHRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-5-14-7-9-15(10-8-14)16-11-12-18(19)17(13-16)6-4-2/h4,11-15,19H,2-3,5-10H2,1H3.
What are the key properties of 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol?
2-prop-2-enyl-4-(4-propylcyclohexyl)phenol has a molecular weight of 258.41 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-(4-propylcyclohexyl)phenol is sourced from PubChem (CID 57348500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).