1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol

C15H19F3O3 — CID 64756534

IUPAC1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H19F3O3/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyRFAAMDZZYGBXSS-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.64
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756534) has the molecular formula C15H19F3O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756534
Molecular FormulaC15H19F3O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H19F3O3/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyRFAAMDZZYGBXSS-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64513841
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756517
trans-(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 102375858
1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]cyclopropan-1-ol
CID 117457854
3-(3,4-dimethoxyphenyl)-1,1-dioxothiolan-3-ol
CID 55159886
2-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62788137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756534) is 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is COc1ccc(C2(O)CCC(C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is RFAAMDZZYGBXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O3/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10,19H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).