2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol

C28H34O — CID 67182449

IUPAC2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
SMILESCCc1ccccc1CC(C)c1cccc(O)c1C(C)Cc1ccccc1CC
InChIInChI=1S/C28H34O/c1-5-22-12-7-9-14-24(22)18-20(3)26-16-11-17-27(29)28(26)21(4)19-25-15-10-8-13-23(25)6-2/h7-17,20-21,29H,5-6,18-19H2,1-4H3
InChIKeyWZYYWPZTGRBGMP-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.21
Rot. Bonds8

About 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol

2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol (PubChem CID 67182449) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
PubChem CID67182449
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol
SMILESCCc1ccccc1CC(C)c1cccc(O)c1C(C)Cc1ccccc1CC
InChIInChI=1S/C28H34O/c1-5-22-12-7-9-14-24(22)18-20(3)26-16-11-17-27(29)28(26)21(4)19-25-15-10-8-13-23(25)6-2/h7-17,20-21,29H,5-6,18-19H2,1-4H3
InChIKeyWZYYWPZTGRBGMP-UHFFFAOYSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67249476
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CID 67252187
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
2,3-bis[2-(2-nonylphenyl)propyl]phenol
CID 67225737
2,3-bis[2-(2-hexylphenyl)propyl]phenol
CID 67225670
2-butan-2-ylphenol;formaldehyde
CID 66765994
benzene;2-ethylphenol
CID 159726745
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol?
The IUPAC name of 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol (CID 67182449) is 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol is CCc1ccccc1CC(C)c1cccc(O)c1C(C)Cc1ccccc1CC.
What is the InChIKey of 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol?
The InChIKey is WZYYWPZTGRBGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-5-22-12-7-9-14-24(22)18-20(3)26-16-11-17-27(29)28(26)21(4)19-25-15-10-8-13-23(25)6-2/h7-17,20-21,29H,5-6,18-19H2,1-4H3.
What are the key properties of 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol?
2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol has a molecular weight of 386.58 g/mol, XLogP of 7.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[1-(2-ethylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 67182449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).