2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

C22H26O5 — CID 139593914

IUPAC2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCCc1ccc(O)cc1)O2
InChIInChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)24)9-11-22(4,27-20)21(25)26-12-10-16-5-7-17(23)8-6-16/h5-8,23-24H,9-12H2,1-4H3
InChIKeyYDRDRZYMXVFEMN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (PubChem CID 139593914) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
PubChem CID139593914
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCCc1ccc(O)cc1)O2
InChIInChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)24)9-11-22(4,27-20)21(25)26-12-10-16-5-7-17(23)8-6-16/h5-8,23-24H,9-12H2,1-4H3
InChIKeyYDRDRZYMXVFEMN-UHFFFAOYSA-N
XLogP3.89
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate (CID 139593914) is 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCCc1ccc(O)cc1)O2.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
The InChIKey is YDRDRZYMXVFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-13-14(2)20-18(15(3)19(13)24)9-11-22(4,27-20)21(25)26-12-10-16-5-7-17(23)8-6-16/h5-8,23-24H,9-12H2,1-4H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate?
2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate is sourced from PubChem (CID 139593914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).