1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene

C17H26O — CID 22857790

IUPAC1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
SMILES[2H]C1(CCC)CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3/i14D
InChIKeyOXBRRUNAAVNTOZ-FCFVPJCTSA-N
MW247.40 g/mol
LogP5.16
Rot. Bonds5

About 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene

1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene (PubChem CID 22857790) has the molecular formula C17H26O and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
PubChem CID22857790
Molecular FormulaC17H26O
Molecular Weight247.40 g/mol
Exact Mass247.20
IUPAC Name1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
SMILES[2H]C1(CCC)CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3/i14D
InChIKeyOXBRRUNAAVNTOZ-FCFVPJCTSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
(2S,3S)-2-[4-(4-ethoxyphenyl)cyclohexyl]-3-propyloxirane
CID 54232231
5-(4-ethoxyphenyl)-2-propylcyclohexan-1-one
CID 2838181
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
4-(4-ethoxyphenyl)piperidine
CID 21495191
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
CID 23391128
1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene
CID 139790644
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513

Frequently Asked Questions

What is the IUPAC name of 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene?
The IUPAC name of 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene (CID 22857790) is 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene?
The canonical SMILES for 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene is [2H]C1(CCC)CCC(c2ccc(OCC)cc2)CC1.
What is the InChIKey of 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene?
The InChIKey is OXBRRUNAAVNTOZ-FCFVPJCTSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3/i14D.
What are the key properties of 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene?
1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene has a molecular weight of 247.40 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene is sourced from PubChem (CID 22857790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).