[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone

C16H16O4 — CID 139913543

IUPAC[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone
SMILESCC(O)COc1c(O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-11(17)10-20-16-13(8-5-9-14(16)18)15(19)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3
InChIKeyLEJGOCRKCDPXOF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.38
Rot. Bonds5

About [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone

[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone (PubChem CID 139913543) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone
PubChem CID139913543
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone
SMILESCC(O)COc1c(O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H16O4/c1-11(17)10-20-16-13(8-5-9-14(16)18)15(19)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3
InChIKeyLEJGOCRKCDPXOF-UHFFFAOYSA-N
XLogP2.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diethoxyphenol;diphenylmethanone
CID 159024064
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
benzoic acid;1-phenoxypropan-2-ol
CID 70185912
2-methylpropyl 2-benzoylbenzoate
CID 142743650
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
CID 70252178
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
[2-ethoxy-3-(ethylamino)phenyl]-phenylmethanone
CID 67045669
acetic acid;1-phenoxypropan-2-ol
CID 68567525
1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane
CID 91530216
phenyl-(2-silylphenyl)methanone
CID 137327642
phenyl-(2-propoxyphenyl)methanone
CID 15556308

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone?
The IUPAC name of [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone (CID 139913543) is [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone?
The canonical SMILES for [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone is CC(O)COc1c(O)cccc1C(=O)c1ccccc1.
What is the InChIKey of [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone?
The InChIKey is LEJGOCRKCDPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11(17)10-20-16-13(8-5-9-14(16)18)15(19)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3.
What are the key properties of [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone?
[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 139913543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).