4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one

C23H26O4 — CID 54682274

IUPAC4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
SMILESCC(C)C1(CCc2ccc(OCc3ccccc3)cc2)CC(O)=CC(=O)O1
InChIInChI=1S/C23H26O4/c1-17(2)23(15-20(24)14-22(25)27-23)13-12-18-8-10-21(11-9-18)26-16-19-6-4-3-5-7-19/h3-11,14,17,24H,12-13,15-16H2,1-2H3
InChIKeyJQSSOYKOEHUIFO-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.98
Rot. Bonds7

About 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one

4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one (PubChem CID 54682274) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
PubChem CID54682274
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
SMILESCC(C)C1(CCc2ccc(OCc3ccccc3)cc2)CC(O)=CC(=O)O1
InChIInChI=1S/C23H26O4/c1-17(2)23(15-20(24)14-22(25)27-23)13-12-18-8-10-21(11-9-18)26-16-19-6-4-3-5-7-19/h3-11,14,17,24H,12-13,15-16H2,1-2H3
InChIKeyJQSSOYKOEHUIFO-UHFFFAOYSA-N
XLogP4.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
2-(3,3-dimethyl-1-phenylbutan-2-yl)-2-ethyl-4-hydroxy-3H-pyran-6-one
CID 173319078
4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 22618845
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one (CID 54682274) is 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one is CC(C)C1(CCc2ccc(OCc3ccccc3)cc2)CC(O)=CC(=O)O1.
What is the InChIKey of 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one?
The InChIKey is JQSSOYKOEHUIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-17(2)23(15-20(24)14-22(25)27-23)13-12-18-8-10-21(11-9-18)26-16-19-6-4-3-5-7-19/h3-11,14,17,24H,12-13,15-16H2,1-2H3.
What are the key properties of 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one?
4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one has a molecular weight of 366.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one is sourced from PubChem (CID 54682274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).