(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one

C14H18O4 — CID 132512192

IUPAC(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one
SMILESCc1cc2c(cc1O)[C@@](C)(O)C(C)(C)[C@@H](O)C2=O
InChIInChI=1S/C14H18O4/c1-7-5-8-9(6-10(7)15)14(4,18)13(2,3)12(17)11(8)16/h5-6,12,15,17-18H,1-4H3/t12-,14+/m0/s1
InChIKeyYNEQZTAMTVWJKR-GXTWGEPZSA-N
MW250.29 g/mol
LogP1.49
Rot. Bonds

About (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one

(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one (PubChem CID 132512192) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one
PubChem CID132512192
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one
SMILESCc1cc2c(cc1O)[C@@](C)(O)C(C)(C)[C@@H](O)C2=O
InChIInChI=1S/C14H18O4/c1-7-5-8-9(6-10(7)15)14(4,18)13(2,3)12(17)11(8)16/h5-6,12,15,17-18H,1-4H3/t12-,14+/m0/s1
InChIKeyYNEQZTAMTVWJKR-GXTWGEPZSA-N
XLogP1.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one?
The IUPAC name of (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one (CID 132512192) is (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one.
What is the SMILES notation for (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one?
The canonical SMILES for (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one is Cc1cc2c(cc1O)[C@@](C)(O)C(C)(C)[C@@H](O)C2=O.
What is the InChIKey of (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one?
The InChIKey is YNEQZTAMTVWJKR-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H18O4/c1-7-5-8-9(6-10(7)15)14(4,18)13(2,3)12(17)11(8)16/h5-6,12,15,17-18H,1-4H3/t12-,14+/m0/s1.
What are the key properties of (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one?
(2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one has a molecular weight of 250.29 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,4,6-trihydroxy-3,3,4,7-tetramethyl-2H-naphthalen-1-one is sourced from PubChem (CID 132512192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).