cyclohexyl-(3,4,5-trimethoxyphenyl)methanol

C16H24O4 — CID 63895814

IUPACcyclohexyl-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C16H24O4/c1-18-13-9-12(10-14(19-2)16(13)20-3)15(17)11-7-5-4-6-8-11/h9-11,15,17H,4-8H2,1-3H3
InChIKeyNYPNEIAQXPWBJC-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.33
Rot. Bonds5

About cyclohexyl-(3,4,5-trimethoxyphenyl)methanol

cyclohexyl-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 63895814) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is cyclohexyl-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Namecyclohexyl-(3,4,5-trimethoxyphenyl)methanol
PubChem CID63895814
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namecyclohexyl-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C16H24O4/c1-18-13-9-12(10-14(19-2)16(13)20-3)15(17)11-7-5-4-6-8-11/h9-11,15,17H,4-8H2,1-3H3
InChIKeyNYPNEIAQXPWBJC-UHFFFAOYSA-N
XLogP3.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
[3,5-bis(azidomethoxy)-4-methoxyphenyl]-cyclooctylmethanol
CID 121320829
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
CID 139373079
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of cyclohexyl-(3,4,5-trimethoxyphenyl)methanol (CID 63895814) is cyclohexyl-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for cyclohexyl-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for cyclohexyl-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of cyclohexyl-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is NYPNEIAQXPWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-13-9-12(10-14(19-2)16(13)20-3)15(17)11-7-5-4-6-8-11/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of cyclohexyl-(3,4,5-trimethoxyphenyl)methanol?
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 280.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 63895814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).