4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol

C66H102N2O8 — CID 159437674

IUPAC4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
SMILESCCCC(c1ccc(O)cc1)C1(O)CCCCC1.CCCC(c1ccc(OC)cc1)C1(O)CCCCC1.CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO2.C17H26O2.C16H25NO2.C16H24O2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;1-3-7-16(17(18)12-5-4-6-13-17)14-8-10-15(19-2)11-9-14;1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;1-2-6-15(13-7-9-14(17)10-8-13)16(18)11-4-3-5-12-16/h7-10,16,19H,4-6,11-13H2,1-3H3;8-11,16,18H,3-7,12-13H2,1-2H3;6-9,15,18-19H,3-5,10-12H2,1-2H3;7-10,15,17-18H,2-6,11-12H2,1H3
InChIKeyLRTXHDIMDHTCJM-UHFFFAOYSA-N
MW1051.55 g/mol
LogP14.01
Rot. Bonds18

About 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol (PubChem CID 159437674) has the molecular formula C66H102N2O8 and a molecular weight of 1051.55 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
PubChem CID159437674
Molecular FormulaC66H102N2O8
Molecular Weight1051.55 g/mol
Exact Mass1050.76
IUPAC Name4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
SMILESCCCC(c1ccc(O)cc1)C1(O)CCCCC1.CCCC(c1ccc(OC)cc1)C1(O)CCCCC1.CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO2.C17H26O2.C16H25NO2.C16H24O2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;1-3-7-16(17(18)12-5-4-6-13-17)14-8-10-15(19-2)11-9-14;1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;1-2-6-15(13-7-9-14(17)10-8-13)16(18)11-4-3-5-12-16/h7-10,16,19H,4-6,11-13H2,1-3H3;8-11,16,18H,3-7,12-13H2,1-2H3;6-9,15,18-19H,3-5,10-12H2,1-2H3;7-10,15,17-18H,2-6,11-12H2,1H3
InChIKeyLRTXHDIMDHTCJM-UHFFFAOYSA-N
XLogP14.01
TPSA146.32 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.55
LogP ≤ 514.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol (CID 159437674) is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol is CCCC(c1ccc(O)cc1)C1(O)CCCCC1.CCCC(c1ccc(OC)cc1)C1(O)CCCCC1.CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol?
The InChIKey is LRTXHDIMDHTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C17H26O2.C16H25NO2.C16H24O2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;1-3-7-16(17(18)12-5-4-6-13-17)14-8-10-15(19-2)11-9-14;1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;1-2-6-15(13-7-9-14(17)10-8-13)16(18)11-4-3-5-12-16/h7-10,16,19H,4-6,11-13H2,1-3H3;8-11,16,18H,3-7,12-13H2,1-2H3;6-9,15,18-19H,3-5,10-12H2,1-2H3;7-10,15,17-18H,2-6,11-12H2,1H3.
What are the key properties of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol?
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol has a molecular weight of 1051.55 g/mol, XLogP of 14.01, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol is sourced from PubChem (CID 159437674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).