1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol

C18H20O2 — CID 103459446

IUPAC1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20O2/c19-17(15-5-2-1-3-6-15)18(20)16-11-9-14(10-12-16)13-7-4-8-13/h1-3,5-6,9-13,17-20H,4,7-8H2
InChIKeyZHQMVEGESABDHB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol

1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol (PubChem CID 103459446) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
PubChem CID103459446
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
SMILESOC(c1ccccc1)C(O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20O2/c19-17(15-5-2-1-3-6-15)18(20)16-11-9-14(10-12-16)13-7-4-8-13/h1-3,5-6,9-13,17-20H,4,7-8H2
InChIKeyZHQMVEGESABDHB-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
CID 116505826
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
CID 116505724
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
(4-cyclobutylphenyl)-thiophen-2-ylmethanol
CID 116505278
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxy-3-(4-methylphenyl)propanoic acid
CID 13153065
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
CID 116506095

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol (CID 103459446) is 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol is OC(c1ccccc1)C(O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol?
The InChIKey is ZHQMVEGESABDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-17(15-5-2-1-3-6-15)18(20)16-11-9-14(10-12-16)13-7-4-8-13/h1-3,5-6,9-13,17-20H,4,7-8H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol?
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 103459446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).