[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate

C19H22O4 — CID 174838612

IUPAC[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate
SMILESCCC(=O)Oc1cc(CCc2ccc(C)cc2)c(O)c(OC)c1
InChIInChI=1S/C19H22O4/c1-4-18(20)23-16-11-15(19(21)17(12-16)22-3)10-9-14-7-5-13(2)6-8-14/h5-8,11-12,21H,4,9-10H2,1-3H3
InChIKeyPQEUQOIMUWCYQB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds6

About [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate

[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate (PubChem CID 174838612) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate.

Molecular Properties

Compound Name[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate
PubChem CID174838612
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate
SMILESCCC(=O)Oc1cc(CCc2ccc(C)cc2)c(O)c(OC)c1
InChIInChI=1S/C19H22O4/c1-4-18(20)23-16-11-15(19(21)17(12-16)22-3)10-9-14-7-5-13(2)6-8-14/h5-8,11-12,21H,4,9-10H2,1-3H3
InChIKeyPQEUQOIMUWCYQB-UHFFFAOYSA-N
XLogP3.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
(3-chloro-4,5-dimethoxyphenyl) propanoate
CID 130431285
(2,6-dimethyl-10-propanoyloxyanthracen-9-yl) propanoate
CID 135239667
2,4-dimethoxy-6-pentylphenol
CID 13197794
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
(7-methylnaphthalen-2-yl) propanoate
CID 23046881
1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone
CID 174724954
[4-[4-[[4-(4-propanoyloxyphenyl)phenyl]methyl]phenyl]phenyl] propanoate
CID 155670242
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate?
The IUPAC name of [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate (CID 174838612) is [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate.
What is the SMILES notation for [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate?
The canonical SMILES for [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate is CCC(=O)Oc1cc(CCc2ccc(C)cc2)c(O)c(OC)c1.
What is the InChIKey of [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate?
The InChIKey is PQEUQOIMUWCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-18(20)23-16-11-15(19(21)17(12-16)22-3)10-9-14-7-5-13(2)6-8-14/h5-8,11-12,21H,4,9-10H2,1-3H3.
What are the key properties of [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate?
[4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate has a molecular weight of 314.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-methoxy-5-[2-(4-methylphenyl)ethyl]phenyl] propanoate is sourced from PubChem (CID 174838612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).