1-phenyl-3-(2-phenylethoxy)propan-2-ol

C17H20O2 — CID 150542863

IUPAC1-phenyl-3-(2-phenylethoxy)propan-2-ol
SMILESOC(COCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O2/c18-17(13-16-9-5-2-6-10-16)14-19-12-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2
InChIKeyIGGGNHHNWMIFSK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds7

About 1-phenyl-3-(2-phenylethoxy)propan-2-ol

1-phenyl-3-(2-phenylethoxy)propan-2-ol (PubChem CID 150542863) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-phenyl-3-(2-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(2-phenylethoxy)propan-2-ol
PubChem CID150542863
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1-phenyl-3-(2-phenylethoxy)propan-2-ol
SMILESOC(COCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20O2/c18-17(13-16-9-5-2-6-10-16)14-19-12-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2
InChIKeyIGGGNHHNWMIFSK-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
benzyl (3R)-3-hydroxy-4-(2-phenylethoxy)butanoate
CID 134919320
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
1-(3-phenylpropoxy)-3-sulfanylpropan-2-ol
CID 175040300
methyl 4-(2-hydroxy-3-phenylpropoxy)butanoate
CID 175954688
2-amino-3-(2-phenylethoxy)propan-1-ol
CID 77236117
1-phenyl-4-propoxybutan-2-ol
CID 105076516
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
1,6-diphenylhexane-2,5-diol
CID 15072586
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-amino-3-(2-phenylethoxy)propanamide
CID 114989411

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-phenylethoxy)propan-2-ol?
The IUPAC name of 1-phenyl-3-(2-phenylethoxy)propan-2-ol (CID 150542863) is 1-phenyl-3-(2-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-(2-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-phenyl-3-(2-phenylethoxy)propan-2-ol is OC(COCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-phenylethoxy)propan-2-ol?
The InChIKey is IGGGNHHNWMIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(13-16-9-5-2-6-10-16)14-19-12-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2.
What are the key properties of 1-phenyl-3-(2-phenylethoxy)propan-2-ol?
1-phenyl-3-(2-phenylethoxy)propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-phenylethoxy)propan-2-ol is sourced from PubChem (CID 150542863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).