bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol

C91H89NO6 — CID 161390678

IUPACbis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol
SMILESCC(O)(c1ccccc1)c1ccccc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccccc2)cc1.Cc1ccccc1C(O)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C1CC1.OC(c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H15NO.C16H16O.C15H16O.3C14H14O/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h1-14,20H;1-10,15,17H,11-12H2;3-10,15-16H,1-2H3;2-11,15H,1H3;2*2-10,14-15H,1H3
InChIKeyVSYHDUOKLDEDIZ-UHFFFAOYSA-N
MW1292.71 g/mol
LogP19.18
Rot. Bonds14

About bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol

bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol (PubChem CID 161390678) has the molecular formula C91H89NO6 and a molecular weight of 1292.71 g/mol. Its IUPAC name is bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol.

Molecular Properties

Compound Namebis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol
PubChem CID161390678
Molecular FormulaC91H89NO6
Molecular Weight1292.71 g/mol
Exact Mass1291.67
IUPAC Namebis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol
SMILESCC(O)(c1ccccc1)c1ccccc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccccc2)cc1.Cc1ccccc1C(O)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C1CC1.OC(c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H15NO.C16H16O.C15H16O.3C14H14O/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h1-14,20H;1-10,15,17H,11-12H2;3-10,15-16H,1-2H3;2-11,15H,1H3;2*2-10,14-15H,1H3
InChIKeyVSYHDUOKLDEDIZ-UHFFFAOYSA-N
XLogP19.18
TPSA134.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.71
LogP ≤ 519.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol?
The IUPAC name of bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol (CID 161390678) is bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol.
What is the SMILES notation for bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol?
The canonical SMILES for bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol is CC(O)(c1ccccc1)c1ccccc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccccc2)cc1.Cc1ccccc1C(O)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C1CC1.OC(c1ccccc1)(c1ccccc1)c1ccncc1.
What is the InChIKey of bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol?
The InChIKey is VSYHDUOKLDEDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.C16H16O.C15H16O.3C14H14O/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h1-14,20H;1-10,15,17H,11-12H2;3-10,15-16H,1-2H3;2-11,15H,1H3;2*2-10,14-15H,1H3.
What are the key properties of bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol?
bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol has a molecular weight of 1292.71 g/mol, XLogP of 19.18, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol is sourced from PubChem (CID 161390678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).