carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium

C30H48O6Ti2-2 — CID 20637487

IUPACcarbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO.CO.CO.CO.[CH3-].[CH3-].[Ti].[Ti]
InChIInChI=1S/C24H26O2.4CH4O.2CH3.2Ti/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20;4*1-2;;;;/h5-16,25-26H,1-4H3;4*2H,1H3;2*1H3;;/q;;;;;2*-1;;
InChIKeyODSHCLDYOUHLBV-UHFFFAOYSA-N
MW600.44 g/mol
LogP5.08
Rot. Bonds4

About carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium

carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium (PubChem CID 20637487) has the molecular formula C30H48O6Ti2-2 and a molecular weight of 600.44 g/mol. Its IUPAC name is carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium.

Molecular Properties

Compound Namecarbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
PubChem CID20637487
Molecular FormulaC30H48O6Ti2-2
Molecular Weight600.44 g/mol
Exact Mass600.24
IUPAC Namecarbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO.CO.CO.CO.[CH3-].[CH3-].[Ti].[Ti]
InChIInChI=1S/C24H26O2.4CH4O.2CH3.2Ti/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20;4*1-2;;;;/h5-16,25-26H,1-4H3;4*2H,1H3;2*1H3;;/q;;;;;2*-1;;
InChIKeyODSHCLDYOUHLBV-UHFFFAOYSA-N
XLogP5.08
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.44
LogP ≤ 55.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
Hexestrol
CID 192197
4-Tert-octylphenol
CID 8814
4,4'-Dihydroxybiphenyl
CID 7112
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
Bisphenol C
CID 6620
Diethylstilbesterol
CID 3054
4,4'-Methylenebis(2,6-di-tert-butylphenol)
CID 8372

Frequently Asked Questions

What is the IUPAC name of carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium?
The IUPAC name of carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium (CID 20637487) is carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium.
What is the SMILES notation for carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium?
The canonical SMILES for carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.CO.CO.CO.CO.[CH3-].[CH3-].[Ti].[Ti].
What is the InChIKey of carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium?
The InChIKey is ODSHCLDYOUHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.4CH4O.2CH3.2Ti/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20;4*1-2;;;;/h5-16,25-26H,1-4H3;4*2H,1H3;2*1H3;;/q;;;;;2*-1;;.
What are the key properties of carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium?
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium has a molecular weight of 600.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium is sourced from PubChem (CID 20637487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).