[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone

C22H18O5 — CID 175988211

IUPAC[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)c2cccc(O)c2Oc2ccccc2O)cc1
InChIInChI=1S/C22H18O5/c1-2-14-26-16-12-10-15(11-13-16)21(25)17-6-5-8-19(24)22(17)27-20-9-4-3-7-18(20)23/h2-13,23-24H,1,14H2
InChIKeyNQMCUTACVYEZNR-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.69
Rot. Bonds7

About [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone

[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone (PubChem CID 175988211) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone
PubChem CID175988211
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)c2cccc(O)c2Oc2ccccc2O)cc1
InChIInChI=1S/C22H18O5/c1-2-14-26-16-12-10-15(11-13-16)21(25)17-6-5-8-19(24)22(17)27-20-9-4-3-7-18(20)23/h2-13,23-24H,1,14H2
InChIKeyNQMCUTACVYEZNR-UHFFFAOYSA-N
XLogP4.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
[4-(2-hydroxyethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 139738783
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
[3-hydroxy-2-(2-hydroxypropoxy)phenyl]-phenylmethanone
CID 139913543
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone?
The IUPAC name of [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone (CID 175988211) is [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)c2cccc(O)c2Oc2ccccc2O)cc1.
What is the InChIKey of [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone?
The InChIKey is NQMCUTACVYEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-2-14-26-16-12-10-15(11-13-16)21(25)17-6-5-8-19(24)22(17)27-20-9-4-3-7-18(20)23/h2-13,23-24H,1,14H2.
What are the key properties of [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone?
[3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone has a molecular weight of 362.38 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-(2-hydroxyphenoxy)phenyl]-(4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 175988211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).