1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene

C20H32O — CID 70489618

IUPAC1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene
SMILESCCCCC[C@@]1(c2ccc(OCC)cc2)CCCC[C@@H]1C
InChIInChI=1S/C20H32O/c1-4-6-8-15-20(16-9-7-10-17(20)3)18-11-13-19(14-12-18)21-5-2/h11-14,17H,4-10,15-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyQUOJOWGYEVXXPU-FXAWDEMLSA-N
MW288.48 g/mol
LogP6.11
Rot. Bonds7

About 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene

1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene (PubChem CID 70489618) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene
PubChem CID70489618
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene
SMILESCCCCC[C@@]1(c2ccc(OCC)cc2)CCCC[C@@H]1C
InChIInChI=1S/C20H32O/c1-4-6-8-15-20(16-9-7-10-17(20)3)18-11-13-19(14-12-18)21-5-2/h11-14,17H,4-10,15-16H2,1-3H3/t17-,20+/m0/s1
InChIKeyQUOJOWGYEVXXPU-FXAWDEMLSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404833
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
CID 155310542
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
[1-[4-(difluoromethoxy)phenyl]-2-methylcyclopentyl]methanamine
CID 79679892
(4-ethoxyphenyl) 1-butylcyclohexane-1-carboxylate
CID 54203022
[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
CID 54376856
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
CID 57301084
hexyl 4-(4-ethoxyphenyl)-4-hydroxycyclohexane-1-carboxylate
CID 19986643

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene?
The IUPAC name of 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene (CID 70489618) is 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene is CCCCC[C@@]1(c2ccc(OCC)cc2)CCCC[C@@H]1C.
What is the InChIKey of 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene?
The InChIKey is QUOJOWGYEVXXPU-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H32O/c1-4-6-8-15-20(16-9-7-10-17(20)3)18-11-13-19(14-12-18)21-5-2/h11-14,17H,4-10,15-16H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene?
1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene has a molecular weight of 288.48 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene is sourced from PubChem (CID 70489618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).