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

C18H20O3 — CID 58446609

IUPAC2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
SMILESCc1ccc(CCOC(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-14-2-4-16(5-3-14)12-13-21-18(20)11-8-15-6-9-17(19)10-7-15/h2-7,9-10,19H,8,11-13H2,1H3
InChIKeyKVGIYENVOYOVLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds6

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

2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate (PubChem CID 58446609) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
PubChem CID58446609
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
SMILESCc1ccc(CCOC(=O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-14-2-4-16(5-3-14)12-13-21-18(20)11-8-15-6-9-17(19)10-7-15/h2-7,9-10,19H,8,11-13H2,1H3
InChIKeyKVGIYENVOYOVLC-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
2-[3-[2-(4-methylphenyl)ethylsulfanyl]propanoyloxy]ethyl 3-[2-(4-methylphenyl)ethylsulfanyl]propanoate
CID 144937728
2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate
CID 129299304
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
prop-2-ynyl 3-(4-hydroxyphenyl)propanoate
CID 137320597
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412
2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
CID 21044048

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate (CID 58446609) is 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate is Cc1ccc(CCOC(=O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate?
The InChIKey is KVGIYENVOYOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14-2-4-16(5-3-14)12-13-21-18(20)11-8-15-6-9-17(19)10-7-15/h2-7,9-10,19H,8,11-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate?
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 58446609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).