(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone

C21H24O7 — CID 150462911

IUPAC(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone
SMILESCC(C)=COCCOCCOc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C21H24O7/c1-14(2)13-27-8-7-26-9-10-28-16-4-6-18(20(24)12-16)21(25)17-5-3-15(22)11-19(17)23/h3-6,11-13,22-24H,7-10H2,1-2H3
InChIKeyHQDROPPVZGOMTD-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.37
Rot. Bonds10

About (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone

(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone (PubChem CID 150462911) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone
PubChem CID150462911
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone
SMILESCC(C)=COCCOCCOc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C21H24O7/c1-14(2)13-27-8-7-26-9-10-28-16-4-6-18(20(24)12-16)21(25)17-5-3-15(22)11-19(17)23/h3-6,11-13,22-24H,7-10H2,1-2H3
InChIKeyHQDROPPVZGOMTD-UHFFFAOYSA-N
XLogP3.37
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
CID 143230864
(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
CID 91613100
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone (CID 150462911) is (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone is CC(C)=COCCOCCOc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone?
The InChIKey is HQDROPPVZGOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-14(2)13-27-8-7-26-9-10-28-16-4-6-18(20(24)12-16)21(25)17-5-3-15(22)11-19(17)23/h3-6,11-13,22-24H,7-10H2,1-2H3.
What are the key properties of (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone?
(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone has a molecular weight of 388.42 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone is sourced from PubChem (CID 150462911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).