[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol

C26H30O2 — CID 139119960

IUPAC[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol
SMILESCO[C@@H](C)c1ccc(C(C)(C)C)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O2/c1-19(28-5)23-17-16-22(25(2,3)4)18-24(23)26(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,27H,1-5H3/t19-/m0/s1
InChIKeyONWDPBQYQVJCIR-IBGZPJMESA-N
MW374.52 g/mol
LogP5.98
Rot. Bonds5

About [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol

[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol (PubChem CID 139119960) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol.

Molecular Properties

Compound Name[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol
PubChem CID139119960
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol
SMILESCO[C@@H](C)c1ccc(C(C)(C)C)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O2/c1-19(28-5)23-17-16-22(25(2,3)4)18-24(23)26(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,27H,1-5H3/t19-/m0/s1
InChIKeyONWDPBQYQVJCIR-IBGZPJMESA-N
XLogP5.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 76733
CID 76733
CID 9847095
CID 9847095
CID 95512
CID 95512
CID 156317
CID 156317
CID 59263691
CID 59263691
CID 49838
CID 49838
CID 6435712
CID 6435712
CID 9929398
CID 9929398
CID 46865788
CID 46865788
CID 108027
CID 108027
CID 4408101
CID 4408101
CID 86207
CID 86207

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol?
The IUPAC name of [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol (CID 139119960) is [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol.
What is the SMILES notation for [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol?
The canonical SMILES for [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol is CO[C@@H](C)c1ccc(C(C)(C)C)cc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol?
The InChIKey is ONWDPBQYQVJCIR-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30O2/c1-19(28-5)23-17-16-22(25(2,3)4)18-24(23)26(27,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,27H,1-5H3/t19-/m0/s1.
What are the key properties of [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol?
[5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol has a molecular weight of 374.52 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-[(1S)-1-methoxyethyl]phenyl]-diphenylmethanol is sourced from PubChem (CID 139119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).