4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane

C85H103Cl6FN4O11 — CID 157284816

About 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane

4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane (PubChem CID 157284816) has the molecular formula C85H103Cl6FN4O11 and a molecular weight of 1588.49 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane.

Molecular Properties

• Compound Name: 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane
• PubChem CID: 157284816
• Molecular Formula: C85H103Cl6FN4O11
• Molecular Weight: 1588.49 g/mol
• Exact Mass: 1584.57
• IUPAC Name: 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane
• SMILES: C.C.C.NC1CCC(O)CC1.O=C1[C@H](Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN1C1CCC(F)CC1.O=C1[C@H](Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN1C1CCC(O)CC1.O=CC[C@@H](Cc1c(Cl)cc(OCc2ccccc2)cc1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C28H25Cl2NO5.C24H26Cl2FNO2.C24H27Cl2NO3.C6H13NO.3CH4/c29-25-15-23(35-17-20-9-5-2-6-10-20)16-26(30)24(25)14-21(11-12-32)27(33)31-22(18-36-28(31)34)13-19-7-3-1-4-8-19;25-22-13-20(30-15-16-4-2-1-3-5-16)14-23(26)21(22)12-17-10-11-28(24(17)29)19-8-6-18(27)7-9-19;25-22-13-20(30-15-16-4-2-1-3-5-16)14-23(26)21(22)12-17-10-11-27(24(17)29)18-6-8-19(28)9-7-18;7-5-1-3-6(8)4-2-5;;;/h1-10,12,15-16,21-22H,11,13-14,17-18H2;1-5,13-14,17-19H,6-12,15H2;1-5,13-14,17-19,28H,6-12,15H2;5-6,8H,1-4,7H2;3*1H4/t21-,22+;2*17-,18?,19?;;;;/m000..../s1
• InChIKey: BACGOBIOOHHESL-OUOWQKKNSA-N
• XLogP: 19.58
• TPSA: 198.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.49
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane?

The IUPAC name of 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane (CID 157284816) is 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane.

What is the SMILES notation for 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane?

The canonical SMILES for 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane is C.C.C.NC1CCC(O)CC1.O=C1[C@H](Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN1C1CCC(F)CC1.O=C1[C@H](Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)CCN1C1CCC(O)CC1.O=CC[C@@H](Cc1c(Cl)cc(OCc2ccccc2)cc1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane?

The InChIKey is BACGOBIOOHHESL-OUOWQKKNSA-N. The full InChI is InChI=1S/C28H25Cl2NO5.C24H26Cl2FNO2.C24H27Cl2NO3.C6H13NO.3CH4/c29-25-15-23(35-17-20-9-5-2-6-10-20)16-26(30)24(25)14-21(11-12-32)27(33)31-22(18-36-28(31)34)13-19-7-3-1-4-8-19;25-22-13-20(30-15-16-4-2-1-3-5-16)14-23(26)21(22)12-17-10-11-28(24(17)29)19-8-6-18(27)7-9-19;25-22-13-20(30-15-16-4-2-1-3-5-16)14-23(26)21(22)12-17-10-11-27(24(17)29)18-6-8-19(28)9-7-18;7-5-1-3-6(8)4-2-5;;;/h1-10,12,15-16,21-22H,11,13-14,17-18H2;1-5,13-14,17-19H,6-12,15H2;1-5,13-14,17-19,28H,6-12,15H2;5-6,8H,1-4,7H2;3*1H4/t21-,22+;2*17-,18?,19?;;;;/m000..../s1.

What are the key properties of 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane?

4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane has a molecular weight of 1588.49 g/mol, XLogP of 19.58, 22 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;(3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-4-oxobutanal;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-fluorocyclohexyl)pyrrolidin-2-one;(3R)-3-[(2,6-dichloro-4-phenylmethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)pyrrolidin-2-one;methane is sourced from PubChem (CID 157284816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).