1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene

C22H28O — CID 71242539

IUPAC1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
SMILESCC(Cc1ccc(-c2ccccc2)cc1)OCC1CCCCC1
InChIInChI=1S/C22H28O/c1-18(23-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,2,4-5,8-9,16-17H2,1H3
InChIKeyJGBPDQDKDAHAOZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.88
Rot. Bonds6

About 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene

1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene (PubChem CID 71242539) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
PubChem CID71242539
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
SMILESCC(Cc1ccc(-c2ccccc2)cc1)OCC1CCCCC1
InChIInChI=1S/C22H28O/c1-18(23-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,2,4-5,8-9,16-17H2,1H3
InChIKeyJGBPDQDKDAHAOZ-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
(1R)-1-cyclopentyl-2-(4-phenylphenyl)ethanol
CID 167627883
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine
CID 58213392
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene?
The IUPAC name of 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene (CID 71242539) is 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene.
What is the SMILES notation for 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene?
The canonical SMILES for 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene is CC(Cc1ccc(-c2ccccc2)cc1)OCC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene?
The InChIKey is JGBPDQDKDAHAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-18(23-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h3,6-7,10-15,18,20H,2,4-5,8-9,16-17H2,1H3.
What are the key properties of 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene?
1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene has a molecular weight of 308.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene is sourced from PubChem (CID 71242539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).