1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol

C17H18O2 — CID 103456996

IUPAC1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(O)C1CC1
InChIInChI=1S/C17H18O2/c18-16(17(19)15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2
InChIKeyALPAXEDIJGQPDB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds4

About 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol

1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol (PubChem CID 103456996) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
PubChem CID103456996
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(O)C1CC1
InChIInChI=1S/C17H18O2/c18-16(17(19)15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2
InChIKeyALPAXEDIJGQPDB-UHFFFAOYSA-N
XLogP3.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459354
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
CID 132578778
1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677
1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
[cyclopropyl-(4-phenylphenyl)methyl] acetate
CID 540182
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(R)-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-3-yl]-(4-phenylphenyl)methanol
CID 54095023
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
CID 79136873

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol (CID 103456996) is 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol is OC(c1ccc(-c2ccccc2)cc1)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol?
The InChIKey is ALPAXEDIJGQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-16(17(19)15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-19H,10-11H2.
What are the key properties of 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol?
1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol has a molecular weight of 254.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol is sourced from PubChem (CID 103456996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).