anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)

C102H130O13Y2-2 — CID 161479389

About anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)

anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium) (PubChem CID 161479389) has the molecular formula C102H130O13Y2-2 and a molecular weight of 1741.96 g/mol. Its IUPAC name is anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium).

Molecular Properties

• Compound Name: anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)
• PubChem CID: 161479389
• Molecular Formula: C102H130O13Y2-2
• Molecular Weight: 1741.96 g/mol
• Exact Mass: 1740.76
• IUPAC Name: anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)
• SMILES: C.C.C=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1O.CC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C)cc1.COc1ccc(Cc2ccc(O)cc2)cc1.COc1cccc(O)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1O.[CH3-].[CH3-].[Y].[Y]
• InChI: InChI=1S/C22H26O2.C17H20O.C14H14O2.C8H10O.2C7H8O2.3C7H8O.C2H6.2CH4.2CH3.2Y/c1-6-8-16-14-18(10-12-20(16)23)22(3,4)19-11-13-21(24-5)17(15-19)9-7-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11;1-7-3-5-8(9-2)6-4-7;1-9-7-4-2-3-6(8)5-7;1-9-7-5-3-2-4-6(7)8;3*1-8-7-5-3-2-4-6-7;1-2;;;;;;/h6-7,10-15,23H,1-2,8-9H2,3-5H3;5-12H,1-4H3;2-9,15H,10H2,1H3;3-6H,1-2H3;2*2-5,8H,1H3;3*2-6H,1H3;1-2H3;2*1H4;2*1H3;;/q;;;;;;;;;;;;2*-1
• InChIKey: FJUQYANHTZNBEG-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 163.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.96
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)?

The IUPAC name of anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium) (CID 161479389) is anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium).

What is the SMILES notation for anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)?

The canonical SMILES for anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium) is C.C.C=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1O.CC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(C)cc1.COc1ccc(Cc2ccc(O)cc2)cc1.COc1cccc(O)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1O.[CH3-].[CH3-].[Y].[Y].

What is the InChIKey of anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)?

The InChIKey is FJUQYANHTZNBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2.C17H20O.C14H14O2.C8H10O.2C7H8O2.3C7H8O.C2H6.2CH4.2CH3.2Y/c1-6-8-16-14-18(10-12-20(16)23)22(3,4)19-11-13-21(24-5)17(15-19)9-7-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11;1-7-3-5-8(9-2)6-4-7;1-9-7-4-2-3-6(8)5-7;1-9-7-5-3-2-4-6(7)8;3*1-8-7-5-3-2-4-6-7;1-2;;;;;;/h6-7,10-15,23H,1-2,8-9H2,3-5H3;5-12H,1-4H3;2-9,15H,10H2,1H3;3-6H,1-2H3;2*2-5,8H,1H3;3*2-6H,1H3;1-2H3;2*1H4;2*1H3;;/q;;;;;;;;;;;;2*-1;;.

What are the key properties of anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium)?

anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium) has a molecular weight of 1741.96 g/mol, XLogP of 25.59, 19 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for anisole;carbanide;ethane;methane;1-methoxy-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-methoxyphenol;3-methoxyphenol;4-[(4-methoxyphenyl)methyl]phenol;4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;bis(yttrium) is sourced from PubChem (CID 161479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).