(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol

C18H22O2 — CID 131850770

IUPAC(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
SMILESCCc1ccc([C@@H](O)[C@@H](O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22O2/c1-3-13-5-9-15(10-6-13)17(19)18(20)16-11-7-14(4-2)8-12-16/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
InChIKeyZODTXEGVBMNEDK-HDICACEKSA-N
MW270.37 g/mol
LogP3.58
Rot. Bonds5

About (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol

(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol (PubChem CID 131850770) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
PubChem CID131850770
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
SMILESCCc1ccc([C@@H](O)[C@@H](O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22O2/c1-3-13-5-9-15(10-6-13)17(19)18(20)16-11-7-14(4-2)8-12-16/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
InChIKeyZODTXEGVBMNEDK-HDICACEKSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
ethyl 3-(4-ethylphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366833

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol?
The IUPAC name of (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol (CID 131850770) is (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol?
The canonical SMILES for (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol is CCc1ccc([C@@H](O)[C@@H](O)c2ccc(CC)cc2)cc1.
What is the InChIKey of (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol?
The InChIKey is ZODTXEGVBMNEDK-HDICACEKSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-13-5-9-15(10-6-13)17(19)18(20)16-11-7-14(4-2)8-12-16/h5-12,17-20H,3-4H2,1-2H3/t17-,18+.
What are the key properties of (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol?
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol has a molecular weight of 270.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol is sourced from PubChem (CID 131850770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).