1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene

C17H26O — CID 64765498

IUPAC1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-6-9-16(10-7-15)18-17-8-5-13(3)14(4)11-17/h6-7,9-10,12-14,17H,5,8,11H2,1-4H3
InChIKeyWORPFONEEFPHGG-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.01
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene

1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene (PubChem CID 64765498) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
PubChem CID64765498
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-6-9-16(10-7-15)18-17-8-5-13(3)14(4)11-17/h6-7,9-10,12-14,17H,5,8,11H2,1-4H3
InChIKeyWORPFONEEFPHGG-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64746307
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123467
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
CID 77054350
2-[4-(3,4-dimethylcyclohexyl)oxyphenyl]acetonitrile
CID 64739371
4-chloro-6-(3,4-dimethylcyclohexyl)oxy-5-propan-2-ylpyrimidine
CID 64745159

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene (CID 64765498) is 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene is CC(C)c1ccc(OC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The InChIKey is WORPFONEEFPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(2)15-6-9-16(10-7-15)18-17-8-5-13(3)14(4)11-17/h6-7,9-10,12-14,17H,5,8,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene?
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene is sourced from PubChem (CID 64765498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).