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

C16H18O2 — CID 175050709

IUPAC1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
SMILESCc1ccc(C(O)(O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C16H18O2/c1-12-8-9-15(13(2)10-12)16(17,18)11-14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3
InChIKeyBINWNCAJJXIWIE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol (PubChem CID 175050709) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
PubChem CID175050709
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
SMILESCc1ccc(C(O)(O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C16H18O2/c1-12-8-9-15(13(2)10-12)16(17,18)11-14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3
InChIKeyBINWNCAJJXIWIE-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
CID 131741516
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
CID 131741515
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
CID 62774556
2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol
CID 61056739
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
(2,4-dimethylphenyl)-bis(4-methylphenyl)methanol
CID 54297310
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
CID 55120280
1-chloro-1-(4-methylphenyl)-2-phenylethanol
CID 139664712
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
1-amino-2-(2,4-dimethylphenyl)butan-2-ol
CID 79002052

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol (CID 175050709) is 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol is Cc1ccc(C(O)(O)Cc2ccccc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol?
The InChIKey is BINWNCAJJXIWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12-8-9-15(13(2)10-12)16(17,18)11-14-6-4-3-5-7-14/h3-10,17-18H,11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol?
1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol has a molecular weight of 242.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol is sourced from PubChem (CID 175050709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).