2-(4-phenoxyphenyl)ethane-1,1-diol

C14H14O3 — CID 20703819

IUPAC2-(4-phenoxyphenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14-16H,10H2
InChIKeyNCFINLLBHHGNHH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.33
Rot. Bonds4

About 2-(4-phenoxyphenyl)ethane-1,1-diol

2-(4-phenoxyphenyl)ethane-1,1-diol (PubChem CID 20703819) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)ethane-1,1-diol
PubChem CID20703819
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(4-phenoxyphenyl)ethane-1,1-diol
SMILESOC(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14-16H,10H2
InChIKeyNCFINLLBHHGNHH-UHFFFAOYSA-N
XLogP2.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-phenoxyphenyl)ethane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenoxyphenyl)but-3-yn-2-ol
CID 23170409
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
(3R)-3-hydroxy-4-(4-phenoxyphenyl)butanenitrile
CID 125466058
2-[4-(3,4,5-trifluorophenoxy)phenyl]ethane-1,1-diol
CID 175017889
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
potassium;hydride;phenoxybenzene
CID 173391576
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)ethane-1,1-diol?
The IUPAC name of 2-(4-phenoxyphenyl)ethane-1,1-diol (CID 20703819) is 2-(4-phenoxyphenyl)ethane-1,1-diol.
What is the SMILES notation for 2-(4-phenoxyphenyl)ethane-1,1-diol?
The canonical SMILES for 2-(4-phenoxyphenyl)ethane-1,1-diol is OC(O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)ethane-1,1-diol?
The InChIKey is NCFINLLBHHGNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9,14-16H,10H2.
What are the key properties of 2-(4-phenoxyphenyl)ethane-1,1-diol?
2-(4-phenoxyphenyl)ethane-1,1-diol has a molecular weight of 230.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)ethane-1,1-diol is sourced from PubChem (CID 20703819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).