2-tritylpentane-1,3-diol

C24H26O2 — CID 139760773

IUPAC2-tritylpentane-1,3-diol
SMILESCCC(O)C(CO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2/c1-2-23(26)22(18-25)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,25-26H,2,18H2,1H3
InChIKeyXZSKTHXLCYUMRQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.40
Rot. Bonds7

About 2-tritylpentane-1,3-diol

2-tritylpentane-1,3-diol (PubChem CID 139760773) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-tritylpentane-1,3-diol.

Molecular Properties

Compound Name2-tritylpentane-1,3-diol
PubChem CID139760773
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-tritylpentane-1,3-diol
SMILESCCC(O)C(CO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2/c1-2-23(26)22(18-25)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,25-26H,2,18H2,1H3
InChIKeyXZSKTHXLCYUMRQ-UHFFFAOYSA-N
XLogP4.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 116756893
1-tritylsulfanylpropan-1-ol
CID 141363719
1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium
CID 174332580
benzyl-diethyl-(1,1,1-triphenylbutan-2-yl)azanium
CID 141498607
1,1,1-triphenylhexan-2-amine
CID 164823082
2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
CID 139685238
triethyl(trityl)phosphanium
CID 18355930
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
benzoic acid;2-butylpentane-1,3-diol;pentane-1,1-diol
CID 174461451
4-amino-6,6,6-trifluoro-5-phenylhexan-3-ol
CID 68863509
(2R)-2-[(2-methyl-2-phenylpropyl)amino]butan-1-ol
CID 103924317
benzoic acid;2,3-di(propan-2-yl)hexane-1,4-diol
CID 86084308

Frequently Asked Questions

What is the IUPAC name of 2-tritylpentane-1,3-diol?
The IUPAC name of 2-tritylpentane-1,3-diol (CID 139760773) is 2-tritylpentane-1,3-diol.
What is the SMILES notation for 2-tritylpentane-1,3-diol?
The canonical SMILES for 2-tritylpentane-1,3-diol is CCC(O)C(CO)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-tritylpentane-1,3-diol?
The InChIKey is XZSKTHXLCYUMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-2-23(26)22(18-25)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,25-26H,2,18H2,1H3.
What are the key properties of 2-tritylpentane-1,3-diol?
2-tritylpentane-1,3-diol has a molecular weight of 346.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritylpentane-1,3-diol is sourced from PubChem (CID 139760773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).