1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol

C21H32O3 — CID 59992415

IUPAC1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C21H32O3/c22-20(10-6-9-17-7-2-1-3-8-17)18-12-14-19(15-13-18)24-21-11-4-5-16-23-21/h1-3,7-8,18-22H,4-6,9-16H2
InChIKeyLAHPMQCBGUKFDX-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.47
Rot. Bonds7

About 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol

1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol (PubChem CID 59992415) has the molecular formula C21H32O3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol
PubChem CID59992415
Molecular FormulaC21H32O3
Molecular Weight332.48 g/mol
Exact Mass332.24
IUPAC Name1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C21H32O3/c22-20(10-6-9-17-7-2-1-3-8-17)18-12-14-19(15-13-18)24-21-11-4-5-16-23-21/h1-3,7-8,18-22H,4-6,9-16H2
InChIKeyLAHPMQCBGUKFDX-UHFFFAOYSA-N
XLogP4.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
1-benzyl-3-(oxan-2-yloxy)pyrrolidine
CID 18687581
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
ethyl (2S)-2-[(2S)-oxan-2-yl]oxy-4-phenylbutanoate
CID 139682584
oxan-2-yl 3-phenylpropanoate
CID 10609743
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol?
The IUPAC name of 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol (CID 59992415) is 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol.
What is the SMILES notation for 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol?
The canonical SMILES for 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol is OC(CCCc1ccccc1)C1CCC(OC2CCCCO2)CC1.
What is the InChIKey of 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol?
The InChIKey is LAHPMQCBGUKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3/c22-20(10-6-9-17-7-2-1-3-8-17)18-12-14-19(15-13-18)24-21-11-4-5-16-23-21/h1-3,7-8,18-22H,4-6,9-16H2.
What are the key properties of 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol?
1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol has a molecular weight of 332.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol is sourced from PubChem (CID 59992415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).