5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol

C41H52O2 — CID 102215310

IUPAC5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
SMILESCC(C)c1ccc(C(c2ccc(OCCCCCO)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C41H52O2/c1-30(2)31-12-14-34(15-13-31)41(35-20-16-32(17-21-35)39(3,4)5,36-22-18-33(19-23-36)40(6,7)8)37-24-26-38(27-25-37)43-29-11-9-10-28-42/h12-27,30,42H,9-11,28-29H2,1-8H3
InChIKeyVSJCDIWMKKHBPN-UHFFFAOYSA-N
MW576.87 g/mol
LogP10.33
Rot. Bonds11

About 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol

5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol (PubChem CID 102215310) has the molecular formula C41H52O2 and a molecular weight of 576.87 g/mol. Its IUPAC name is 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
PubChem CID102215310
Molecular FormulaC41H52O2
Molecular Weight576.87 g/mol
Exact Mass576.40
IUPAC Name5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
SMILESCC(C)c1ccc(C(c2ccc(OCCCCCO)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C41H52O2/c1-30(2)31-12-14-34(15-13-31)41(35-20-16-32(17-21-35)39(3,4)5,36-22-18-33(19-23-36)40(6,7)8)37-24-26-38(27-25-37)43-29-11-9-10-28-42/h12-27,30,42H,9-11,28-29H2,1-8H3
InChIKeyVSJCDIWMKKHBPN-UHFFFAOYSA-N
XLogP10.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
1-[bis(4-tert-butylphenyl)-[4-(6-iodohexoxy)phenyl]methyl]-4-tert-butylbenzene
CID 132534710
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
11-(4-methylphenoxy)undecan-1-ol
CID 67541960

Frequently Asked Questions

What is the IUPAC name of 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol (CID 102215310) is 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol is CC(C)c1ccc(C(c2ccc(OCCCCCO)cc2)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol?
The InChIKey is VSJCDIWMKKHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52O2/c1-30(2)31-12-14-34(15-13-31)41(35-20-16-32(17-21-35)39(3,4)5,36-22-18-33(19-23-36)40(6,7)8)37-24-26-38(27-25-37)43-29-11-9-10-28-42/h12-27,30,42H,9-11,28-29H2,1-8H3.
What are the key properties of 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol?
5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol has a molecular weight of 576.87 g/mol, XLogP of 10.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 102215310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).