(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one

C14H18O4 — CID 14448209

IUPAC(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one
SMILESCC[C@@]1(O)CCc2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C14H18O4/c1-4-14(16)8-7-9-10(17-2)5-6-11(18-3)12(9)13(14)15/h5-6,16H,4,7-8H2,1-3H3/t14-/m1/s1
InChIKeyPZEVMCVHIDDFJC-CQSZACIVSA-N
MW250.29 g/mol
LogP1.97
Rot. Bonds3

About (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one

(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one (PubChem CID 14448209) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one
PubChem CID14448209
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one
SMILESCC[C@@]1(O)CCc2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C14H18O4/c1-4-14(16)8-7-9-10(17-2)5-6-11(18-3)12(9)13(14)15/h5-6,16H,4,7-8H2,1-3H3/t14-/m1/s1
InChIKeyPZEVMCVHIDDFJC-CQSZACIVSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one (CID 14448209) is (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one is CC[C@@]1(O)CCc2c(OC)ccc(OC)c2C1=O.
What is the InChIKey of (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is PZEVMCVHIDDFJC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-14(16)8-7-9-10(17-2)5-6-11(18-3)12(9)13(14)15/h5-6,16H,4,7-8H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one?
(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 250.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 14448209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).