5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid

C19H28O4 — CID 53481524

IUPAC5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)C(=O)O)O2
InChIInChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1
InChIKeyQWPNLVBAEZJBMI-IMFVZPHKSA-N
MW320.43 g/mol
LogP4.29
Rot. Bonds5

About 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid

5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid (PubChem CID 53481524) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
PubChem CID53481524
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)C(=O)O)O2
InChIInChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1
InChIKeyQWPNLVBAEZJBMI-IMFVZPHKSA-N
XLogP4.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The IUPAC name of 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid (CID 53481524) is 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)C(=O)O)O2.
What is the InChIKey of 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
The InChIKey is QWPNLVBAEZJBMI-IMFVZPHKSA-N. The full InChI is InChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1.
What are the key properties of 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid?
5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid has a molecular weight of 320.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid is sourced from PubChem (CID 53481524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).