2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol

C16H18O4 — CID 130215511

IUPAC2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol
SMILESOC(O)C(Cc1ccc(-c2ccccc2)cc1)C(O)O
InChIInChI=1S/C16H18O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14-20H,10H2
InChIKeyRAHVAVWVLCUHRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds5

About 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol

2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol (PubChem CID 130215511) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol
PubChem CID130215511
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol
SMILESOC(O)C(Cc1ccc(-c2ccccc2)cc1)C(O)O
InChIInChI=1S/C16H18O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14-20H,10H2
InChIKeyRAHVAVWVLCUHRI-UHFFFAOYSA-N
XLogP1.13
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
(1R)-1-cyclopentyl-2-(4-phenylphenyl)ethanol
CID 167627883
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
(2S)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061373
(2R)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061370
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol?
The IUPAC name of 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol (CID 130215511) is 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol is OC(O)C(Cc1ccc(-c2ccccc2)cc1)C(O)O.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol?
The InChIKey is RAHVAVWVLCUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14-20H,10H2.
What are the key properties of 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol?
2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol has a molecular weight of 274.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]propane-1,1,3,3-tetrol is sourced from PubChem (CID 130215511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).