3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

C112H112F18O12 — CID 160637006

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 160637006) has the molecular formula C112H112F18O12 and a molecular weight of 1992.08 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
• PubChem CID: 160637006
• Molecular Formula: C112H112F18O12
• Molecular Weight: 1992.08 g/mol
• Exact Mass: 1990.79
• IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
• SMILES: C=CCC(CC=C)(C(=O)OC)c1ccccc1.COC(=O)C1(c2ccccc2)CC=CC1.COC(=O)Cc1ccccc1.FC(F)(F)c1cc(COCC2(c3ccccc3)CC=CC2)cc(C(F)(F)F)c1.O=C1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.OC1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.OCC1(c2ccccc2)CC=CC1
• InChI: InChI=1S/C21H20F6O2.C21H18F6O2.C21H18F6O.C15H18O2.C13H14O2.C12H14O.C9H10O2/c2*22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-29-13-19(7-6-18(28)11-19)15-4-2-1-3-5-15;22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-28-14-19(8-4-5-9-19)16-6-2-1-3-7-16;1-4-11-15(12-5-2,14(16)17-3)13-9-7-6-8-10-13;1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11;13-10-12(8-4-5-9-12)11-6-2-1-3-7-11;1-11-9(10)7-8-5-3-2-4-6-8/h1-5,8-10,18,28H,6-7,11-13H2;1-5,8-10H,6-7,11-13H2;1-7,10-12H,8-9,13-14H2;4-10H,1-2,11-12H2,3H3;2-8H,9-10H2,1H3;1-7,13H,8-10H2;2-6H,7H2,1H3
• InChIKey: RIQXCRSECDXSCQ-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 164.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.08
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?

The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (CID 160637006) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.

What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?

The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is C=CCC(CC=C)(C(=O)OC)c1ccccc1.COC(=O)C1(c2ccccc2)CC=CC1.COC(=O)Cc1ccccc1.FC(F)(F)c1cc(COCC2(c3ccccc3)CC=CC2)cc(C(F)(F)F)c1.O=C1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.OC1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.OCC1(c2ccccc2)CC=CC1.

What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?

The InChIKey is RIQXCRSECDXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6O2.C21H18F6O2.C21H18F6O.C15H18O2.C13H14O2.C12H14O.C9H10O2/c2*22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-29-13-19(7-6-18(28)11-19)15-4-2-1-3-5-15;22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-28-14-19(8-4-5-9-19)16-6-2-1-3-7-16;1-4-11-15(12-5-2,14(16)17-3)13-9-7-6-8-10-13;1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11;13-10-12(8-4-5-9-12)11-6-2-1-3-7-11;1-11-9(10)7-8-5-3-2-4-6-8/h1-5,8-10,18,28H,6-7,11-13H2;1-5,8-10H,6-7,11-13H2;1-7,10-12H,8-9,13-14H2;4-10H,1-2,11-12H2,3H3;2-8H,9-10H2,1H3;1-7,13H,8-10H2;2-6H,7H2,1H3.

What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?

3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 1992.08 g/mol, XLogP of 27.55, 27 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-ol;3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentan-1-one;methyl 2-phenylacetate;methyl 1-phenylcyclopent-3-ene-1-carboxylate;methyl 2-phenyl-2-prop-2-enylpent-4-enoate;(1-phenylcyclopent-3-en-1-yl)methanol;1-[(1-phenylcyclopent-3-en-1-yl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 160637006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).