(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone

C21H18O3 — CID 139643041

IUPAC(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
SMILESCC(c1ccccc1)c1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C21H18O3/c1-14(15-8-3-2-4-9-15)16-11-7-12-18(20(16)23)21(24)17-10-5-6-13-19(17)22/h2-14,22-23H,1H3
InChIKeyODPGXWNTEOBEAW-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.48
Rot. Bonds4

About (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone

(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone (PubChem CID 139643041) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
PubChem CID139643041
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
SMILESCC(c1ccccc1)c1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C21H18O3/c1-14(15-8-3-2-4-9-15)16-11-7-12-18(20(16)23)21(24)17-10-5-6-13-19(17)22/h2-14,22-23H,1H3
InChIKeyODPGXWNTEOBEAW-UHFFFAOYSA-N
XLogP4.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
3-benzhydryl-2-hydroxybenzoic acid;zinc
CID 70592549
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone (CID 139643041) is (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone is CC(c1ccccc1)c1cccc(C(=O)c2ccccc2O)c1O.
What is the InChIKey of (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone?
The InChIKey is ODPGXWNTEOBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-14(15-8-3-2-4-9-15)16-11-7-12-18(20(16)23)21(24)17-10-5-6-13-19(17)22/h2-14,22-23H,1H3.
What are the key properties of (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone?
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone has a molecular weight of 318.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone is sourced from PubChem (CID 139643041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).