(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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Related Compounds

4,7-dimethoxy-2,2-dimethyl-3H-inden-1-one
CID 18614118
9-ethyl-1,6,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 134936652
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660
5,8-dimethoxy-3,3-dimethyl-1H-isothiochromen-4-one
CID 82886764
3,4-diethyl-4-hydroxycyclohex-2-en-1-one
CID 134895720
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
CID 82159209
6,9-dimethoxy-1,2-dihydro-3-benzoxepin-5-one
CID 62729703
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
2-[(2R)-2-hydroxy-5,8-dimethoxy-4-oxo-1,3-dihydronaphthalen-2-yl]acetonitrile
CID 23260613
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228

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).