1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol

C26H34O2 — CID 69235710

IUPAC1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
SMILESOC(C(O)C1(CCc2ccccc2)CCC1)C1(CCc2ccccc2)CCC1
InChIInChI=1S/C26H34O2/c27-23(25(15-7-16-25)19-13-21-9-3-1-4-10-21)24(28)26(17-8-18-26)20-14-22-11-5-2-6-12-22/h1-6,9-12,23-24,27-28H,7-8,13-20H2
InChIKeyILDDZAHQZBTWRC-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.31
Rot. Bonds9

About 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol

1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol (PubChem CID 69235710) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
PubChem CID69235710
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol
SMILESOC(C(O)C1(CCc2ccccc2)CCC1)C1(CCc2ccccc2)CCC1
InChIInChI=1S/C26H34O2/c27-23(25(15-7-16-25)19-13-21-9-3-1-4-10-21)24(28)26(17-8-18-26)20-14-22-11-5-2-6-12-22/h1-6,9-12,23-24,27-28H,7-8,13-20H2
InChIKeyILDDZAHQZBTWRC-UHFFFAOYSA-N
XLogP5.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
(1-benzylcyclopropyl)methanediol
CID 145135288
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
trans-(1S,2S)-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-1-(2-phenylethyl)cyclopropan-1-ol
CID 101047901
(1-hydroxycyclobutyl) 3-phenylpropanoate
CID 175188270
N-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 83683099
3-(2-phenylethyl)oxetan-3-ol
CID 83683318

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol?
The IUPAC name of 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol (CID 69235710) is 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol.
What is the SMILES notation for 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol?
The canonical SMILES for 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol is OC(C(O)C1(CCc2ccccc2)CCC1)C1(CCc2ccccc2)CCC1.
What is the InChIKey of 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol?
The InChIKey is ILDDZAHQZBTWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c27-23(25(15-7-16-25)19-13-21-9-3-1-4-10-21)24(28)26(17-8-18-26)20-14-22-11-5-2-6-12-22/h1-6,9-12,23-24,27-28H,7-8,13-20H2.
What are the key properties of 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol?
1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol has a molecular weight of 378.56 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-(2-phenylethyl)cyclobutyl]ethane-1,2-diol is sourced from PubChem (CID 69235710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).