1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene

C15H22O — CID 178142508

IUPAC1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
SMILESCCCc1ccc(O[C@@H]2CC[C@@H](C)C2)cc1
InChIInChI=1S/C15H22O/c1-3-4-13-6-9-14(10-7-13)16-15-8-5-12(2)11-15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t12-,15-/m1/s1
InChIKeyKVYFLLQFBXBAGE-IUODEOHRSA-N
MW218.34 g/mol
LogP4.21
Rot. Bonds4

About 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene

1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene (PubChem CID 178142508) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene.

Molecular Properties

Compound Name1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
PubChem CID178142508
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
SMILESCCCc1ccc(O[C@@H]2CC[C@@H](C)C2)cc1
InChIInChI=1S/C15H22O/c1-3-4-13-6-9-14(10-7-13)16-15-8-5-12(2)11-15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t12-,15-/m1/s1
InChIKeyKVYFLLQFBXBAGE-IUODEOHRSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyloxy-4-propylbenzene
CID 178141621
1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
CID 178142044
2-[4-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107709492
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
3,5-dimethyl-2-(4-propylphenoxy)cyclohexan-1-amine
CID 64750822
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
CID 70920975
ethyl 3-(4-octylphenoxy)cyclopentane-1-carboxylate
CID 150842881
3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
CID 79642909
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene?
The IUPAC name of 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene (CID 178142508) is 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene.
What is the SMILES notation for 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene?
The canonical SMILES for 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene is CCCc1ccc(O[C@@H]2CC[C@@H](C)C2)cc1.
What is the InChIKey of 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene?
The InChIKey is KVYFLLQFBXBAGE-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-13-6-9-14(10-7-13)16-15-8-5-12(2)11-15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene?
1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene is sourced from PubChem (CID 178142508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).