[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone

C16H16O4 — CID 10945581

IUPAC[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCO)cc1O
InChIInChI=1S/C16H16O4/c17-9-4-10-20-13-7-8-14(15(18)11-13)16(19)12-5-2-1-3-6-12/h1-3,5-8,11,17-18H,4,9-10H2
InChIKeyAGYGLKOVASZVOQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.38
Rot. Bonds6

About [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone

[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone (PubChem CID 10945581) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
PubChem CID10945581
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCO)cc1O
InChIInChI=1S/C16H16O4/c17-9-4-10-20-13-7-8-14(15(18)11-13)16(19)12-5-2-1-3-6-12/h1-3,5-8,11,17-18H,4,9-10H2
InChIKeyAGYGLKOVASZVOQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
12-(4-benzoyl-3-hydroxyphenoxy)dodecyl-trimethylazanium bromide
CID 163408720
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
1-[6-(4-benzoyl-3-hydroxyphenoxy)hexyl]pyrrole-2,5-dione
CID 67587668

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone (CID 10945581) is [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCCCO)cc1O.
What is the InChIKey of [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone?
The InChIKey is AGYGLKOVASZVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-9-4-10-20-13-7-8-14(15(18)11-13)16(19)12-5-2-1-3-6-12/h1-3,5-8,11,17-18H,4,9-10H2.
What are the key properties of [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone?
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 10945581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).