2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate

C17H20O4 — CID 129299304

IUPAC2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate
SMILESO=C(CCC1=CC=C(O)CC1)OCCc1ccc(O)cc1
InChIInChI=1S/C17H20O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1,3-4,6,8-9,18-19H,2,5,7,10-12H2
InChIKeyJLSFRXCBNXDYSX-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.42
Rot. Bonds6

About 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate

2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate (PubChem CID 129299304) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate
PubChem CID129299304
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate
SMILESO=C(CCC1=CC=C(O)CC1)OCCc1ccc(O)cc1
InChIInChI=1S/C17H20O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1,3-4,6,8-9,18-19H,2,5,7,10-12H2
InChIKeyJLSFRXCBNXDYSX-UHFFFAOYSA-N
XLogP3.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
CID 21044048
prop-2-ynyl 3-(4-hydroxyphenyl)propanoate
CID 137320597
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
trimethylsilyl 3-(4-hydroxyphenyl)propanoate
CID 91710913
bis[2-(4-bromophenyl)ethyl] pentanedioate
CID 91727849

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate (CID 129299304) is 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate is O=C(CCC1=CC=C(O)CC1)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate?
The InChIKey is JLSFRXCBNXDYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1,3-4,6,8-9,18-19H,2,5,7,10-12H2.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate?
2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate has a molecular weight of 288.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxycyclohexa-1,3-dien-1-yl)propanoate is sourced from PubChem (CID 129299304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).