2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate

C18H20O4 — CID 155323267

IUPAC2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20O4/c1-21-17-9-4-14(5-10-17)6-11-18(20)22-13-12-15-2-7-16(19)8-3-15/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyQNBDPFJQTMEOLK-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.12
Rot. Bonds7

About 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate

2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate (PubChem CID 155323267) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
PubChem CID155323267
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20O4/c1-21-17-9-4-14(5-10-17)6-11-18(20)22-13-12-15-2-7-16(19)8-3-15/h2-5,7-10,19H,6,11-13H2,1H3
InChIKeyQNBDPFJQTMEOLK-UHFFFAOYSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate (CID 155323267) is 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCCc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is QNBDPFJQTMEOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-21-17-9-4-14(5-10-17)6-11-18(20)22-13-12-15-2-7-16(19)8-3-15/h2-5,7-10,19H,6,11-13H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate?
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 155323267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).