1,1,1,3-tetraphenyloctane-4,5-diol

C32H34O2 — CID 141055800

IUPAC1,1,1,3-tetraphenyloctane-4,5-diol
SMILESCCCC(O)C(O)C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34O2/c1-2-15-30(33)31(34)29(25-16-7-3-8-17-25)24-32(26-18-9-4-10-19-26,27-20-11-5-12-21-27)28-22-13-6-14-23-28/h3-14,16-23,29-31,33-34H,2,15,24H2,1H3
InChIKeyMVRNJKWBZKNVJP-UHFFFAOYSA-N
MW450.62 g/mol
LogP6.72
Rot. Bonds10

About 1,1,1,3-tetraphenyloctane-4,5-diol

1,1,1,3-tetraphenyloctane-4,5-diol (PubChem CID 141055800) has the molecular formula C32H34O2 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1,1,1,3-tetraphenyloctane-4,5-diol.

Molecular Properties

Compound Name1,1,1,3-tetraphenyloctane-4,5-diol
PubChem CID141055800
Molecular FormulaC32H34O2
Molecular Weight450.62 g/mol
Exact Mass450.26
IUPAC Name1,1,1,3-tetraphenyloctane-4,5-diol
SMILESCCCC(O)C(O)C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34O2/c1-2-15-30(33)31(34)29(25-16-7-3-8-17-25)24-32(26-18-9-4-10-19-26,27-20-11-5-12-21-27)28-22-13-6-14-23-28/h3-14,16-23,29-31,33-34H,2,15,24H2,1H3
InChIKeyMVRNJKWBZKNVJP-UHFFFAOYSA-N
XLogP6.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.72
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

(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
3-phenylhexane-1,2-diol
CID 139772655
5-methyl-3-phenyloctan-4-ol
CID 107894691
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
benzoic acid;3-methylheptane-2,4-diol
CID 174643934
1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108
2-ethyl-4-phenyl-3-propylhexanoic acid
CID 70503119
(3S,4S)-4-hydroxy-3-phenylheptan-2-one
CID 95004321
1-phenyl-2-propylpentan-1-ol
CID 82987900
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
(1R,2R)-1-nitro-1-phenylpentan-2-ol
CID 11543020
decane-4,5,6,7-tetrol
CID 73238857

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetraphenyloctane-4,5-diol?
The IUPAC name of 1,1,1,3-tetraphenyloctane-4,5-diol (CID 141055800) is 1,1,1,3-tetraphenyloctane-4,5-diol.
What is the SMILES notation for 1,1,1,3-tetraphenyloctane-4,5-diol?
The canonical SMILES for 1,1,1,3-tetraphenyloctane-4,5-diol is CCCC(O)C(O)C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,1,3-tetraphenyloctane-4,5-diol?
The InChIKey is MVRNJKWBZKNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2/c1-2-15-30(33)31(34)29(25-16-7-3-8-17-25)24-32(26-18-9-4-10-19-26,27-20-11-5-12-21-27)28-22-13-6-14-23-28/h3-14,16-23,29-31,33-34H,2,15,24H2,1H3.
What are the key properties of 1,1,1,3-tetraphenyloctane-4,5-diol?
1,1,1,3-tetraphenyloctane-4,5-diol has a molecular weight of 450.62 g/mol, XLogP of 6.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetraphenyloctane-4,5-diol is sourced from PubChem (CID 141055800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).