[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol

C24H26O2 — CID 22146242

IUPAC[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
SMILESCc1ccc(C)c(-c2cc(CO)c(-c3cc(C)ccc3C)cc2CO)c1
InChIInChI=1S/C24H26O2/c1-15-5-7-17(3)21(9-15)23-11-20(14-26)24(12-19(23)13-25)22-10-16(2)6-8-18(22)4/h5-12,25-26H,13-14H2,1-4H3
InChIKeyHDSDCODHVXRYBB-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.24
Rot. Bonds4

About [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol

[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol (PubChem CID 22146242) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
PubChem CID22146242
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
SMILESCc1ccc(C)c(-c2cc(CO)c(-c3cc(C)ccc3C)cc2CO)c1
InChIInChI=1S/C24H26O2/c1-15-5-7-17(3)21(9-15)23-11-20(14-26)24(12-19(23)13-25)22-10-16(2)6-8-18(22)4/h5-12,25-26H,13-14H2,1-4H3
InChIKeyHDSDCODHVXRYBB-UHFFFAOYSA-N
XLogP5.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol (CID 22146242) is [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol is Cc1ccc(C)c(-c2cc(CO)c(-c3cc(C)ccc3C)cc2CO)c1.
What is the InChIKey of [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is HDSDCODHVXRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-15-5-7-17(3)21(9-15)23-11-20(14-26)24(12-19(23)13-25)22-10-16(2)6-8-18(22)4/h5-12,25-26H,13-14H2,1-4H3.
What are the key properties of [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol?
[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 346.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 22146242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).