(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol

C28H34O2 — CID 170551631

IUPAC(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
SMILESCC(C)(C)c1ccccc1C(O)c1cccc(C(O)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C28H34O2/c1-27(2,3)23-16-9-7-14-21(23)25(29)19-12-11-13-20(18-19)26(30)22-15-8-10-17-24(22)28(4,5)6/h7-18,25-26,29-30H,1-6H3
InChIKeyIUTHAPYEWUAXIZ-UHFFFAOYSA-N
MW402.58 g/mol
LogP6.45
Rot. Bonds4

About (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol

(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol (PubChem CID 170551631) has the molecular formula C28H34O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
PubChem CID170551631
Molecular FormulaC28H34O2
Molecular Weight402.58 g/mol
Exact Mass402.26
IUPAC Name(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
SMILESCC(C)(C)c1ccccc1C(O)c1cccc(C(O)c2ccccc2C(C)(C)C)c1
InChIInChI=1S/C28H34O2/c1-27(2,3)23-16-9-7-14-21(23)25(29)19-12-11-13-20(18-19)26(30)22-15-8-10-17-24(22)28(4,5)6/h7-18,25-26,29-30H,1-6H3
InChIKeyIUTHAPYEWUAXIZ-UHFFFAOYSA-N
XLogP6.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-tert-butylphenyl)-(2-chlorophenyl)methanol
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CID 18627964
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
5-[(2-tert-butylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947428
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol?
The IUPAC name of (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol (CID 170551631) is (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol.
What is the SMILES notation for (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol?
The canonical SMILES for (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol is CC(C)(C)c1ccccc1C(O)c1cccc(C(O)c2ccccc2C(C)(C)C)c1.
What is the InChIKey of (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol?
The InChIKey is IUTHAPYEWUAXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2/c1-27(2,3)23-16-9-7-14-21(23)25(29)19-12-11-13-20(18-19)26(30)22-15-8-10-17-24(22)28(4,5)6/h7-18,25-26,29-30H,1-6H3.
What are the key properties of (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol?
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol has a molecular weight of 402.58 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol is sourced from PubChem (CID 170551631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).