3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol

C17H26O3 — CID 115838559

IUPAC3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCC1CCCCC1
InChIInChI=1S/C17H26O3/c1-19-15-9-6-10-16(20-2)17(15)14(18)12-11-13-7-4-3-5-8-13/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyPDAHUPFVEDREJJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.10
Rot. Bonds6

About 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol

3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol (PubChem CID 115838559) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
PubChem CID115838559
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(OC)c1C(O)CCC1CCCCC1
InChIInChI=1S/C17H26O3/c1-19-15-9-6-10-16(20-2)17(15)14(18)12-11-13-7-4-3-5-8-13/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyPDAHUPFVEDREJJ-UHFFFAOYSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
CID 115810911
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol (CID 115838559) is 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol is COc1cccc(OC)c1C(O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol?
The InChIKey is PDAHUPFVEDREJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-19-15-9-6-10-16(20-2)17(15)14(18)12-11-13-7-4-3-5-8-13/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol?
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 115838559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).