ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene

C19H32O — CID 176986547

IUPACethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC.CCC1CCC(Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H26O.C2H6/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3;1-2/h7-8,11-14,16H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyYDAPCJABPZJANL-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.18
Rot. Bonds4

About ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene

ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene (PubChem CID 176986547) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
PubChem CID176986547
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Nameethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC.CCC1CCC(Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H26O.C2H6/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3;1-2/h7-8,11-14,16H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyYDAPCJABPZJANL-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
CID 64747544
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene (CID 176986547) is ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene is CC.CCC1CCC(Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene?
The InChIKey is YDAPCJABPZJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C2H6/c1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3;1-2/h7-8,11-14,16H,4-6,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene?
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene has a molecular weight of 276.46 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene is sourced from PubChem (CID 176986547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).