(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol

C26H30O2 — CID 139087432

IUPAC(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
SMILESCc1ccc(C(C[C@@H](O)c2ccc(C)cc2)C[C@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30O2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-15,24-28H,16-17H2,1-3H3/t24?,25-,26+
InChIKeyWHGOKYNRPATIGW-NXMIGULDSA-N
MW374.52 g/mol
LogP5.94
Rot. Bonds7

About (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol

(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol (PubChem CID 139087432) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol.

Molecular Properties

Compound Name(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
PubChem CID139087432
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
SMILESCc1ccc(C(C[C@@H](O)c2ccc(C)cc2)C[C@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H30O2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-15,24-28H,16-17H2,1-3H3/t24?,25-,26+
InChIKeyWHGOKYNRPATIGW-NXMIGULDSA-N
XLogP5.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol 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

(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
(1R,3R)-3-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-1-ol;hydrochloride
CID 171237757
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
3-(methylamino)-1-(4-methylphenyl)propan-1-ol
CID 22925331
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(4-methylphenyl)pent-3-yn-1-ol
CID 15001308

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol?
The IUPAC name of (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol (CID 139087432) is (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol.
What is the SMILES notation for (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol?
The canonical SMILES for (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol is Cc1ccc(C(C[C@@H](O)c2ccc(C)cc2)C[C@H](O)c2ccc(C)cc2)cc1.
What is the InChIKey of (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol?
The InChIKey is WHGOKYNRPATIGW-NXMIGULDSA-N. The full InChI is InChI=1S/C26H30O2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-15,24-28H,16-17H2,1-3H3/t24?,25-,26+.
What are the key properties of (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol?
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol has a molecular weight of 374.52 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol is sourced from PubChem (CID 139087432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).