[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone

C21H18O3 — CID 101432488

IUPAC[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
SMILESO=C(c1cccc(CO)c1)c1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C21H18O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-13,20,22-23H,14H2
InChIKeyVCNFVOJJOUZFRL-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.49
Rot. Bonds5

About [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone

[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone (PubChem CID 101432488) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
PubChem CID101432488
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone
SMILESO=C(c1cccc(CO)c1)c1cccc(C(O)c2ccccc2)c1
InChIInChI=1S/C21H18O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-13,20,22-23H,14H2
InChIKeyVCNFVOJJOUZFRL-UHFFFAOYSA-N
XLogP3.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diphenylmethanol;diphenylmethanone
CID 67159414
2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
CID 70540127
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
3-[(3-benzoylphenyl)-hydroxymethyl]benzaldehyde
CID 101432485
2-[3-[hydroxy(phenyl)methyl]phenyl]acetic acid
CID 150412934
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
2-(3-benzoylphenyl)-3-iodopropanoic acid
CID 67699096
4-(3-benzoylphenyl)-3-hydroxybutanenitrile
CID 21495682
CID 66964934
CID 66964934

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone (CID 101432488) is [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone is O=C(c1cccc(CO)c1)c1cccc(C(O)c2ccccc2)c1.
What is the InChIKey of [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone?
The InChIKey is VCNFVOJJOUZFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c22-14-15-6-4-9-17(12-15)21(24)19-11-5-10-18(13-19)20(23)16-7-2-1-3-8-16/h1-13,20,22-23H,14H2.
What are the key properties of [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone?
[3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone has a molecular weight of 318.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)phenyl]-[3-[hydroxy(phenyl)methyl]phenyl]methanone is sourced from PubChem (CID 101432488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).