1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene

C17H24O — CID 146167664

IUPAC1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
SMILESC=C(C)CC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H24O/c1-14(2)13-17(11-5-4-6-12-17)15-7-9-16(18-3)10-8-15/h7-10H,1,4-6,11-13H2,2-3H3
InChIKeyDCQFJYYBJUWHQI-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.86
Rot. Bonds4

About 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene

1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene (PubChem CID 146167664) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
PubChem CID146167664
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
SMILESC=C(C)CC1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H24O/c1-14(2)13-17(11-5-4-6-12-17)15-7-9-16(18-3)10-8-15/h7-10H,1,4-6,11-13H2,2-3H3
InChIKeyDCQFJYYBJUWHQI-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.86
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

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
CID 117402969
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366200
[2-(4-methoxyphenyl)oxan-2-yl]silane
CID 123969847

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene (CID 146167664) is 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene is C=C(C)CC1(c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene?
The InChIKey is DCQFJYYBJUWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-14(2)13-17(11-5-4-6-12-17)15-7-9-16(18-3)10-8-15/h7-10H,1,4-6,11-13H2,2-3H3.
What are the key properties of 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene?
1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene has a molecular weight of 244.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene is sourced from PubChem (CID 146167664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).