(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one

C14H18O5 — CID 139588653

IUPAC(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1c(OC)cc2c(c1O)C(=O)C[C@H](OC)[C@H]2O
InChIInChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13-/m0/s1
InChIKeyYLSOOYDKHUEZQR-AAEUAGOBSA-N
MW266.29 g/mol
LogP1.60
Rot. Bonds3

About (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one

(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 139588653) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID139588653
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1c(OC)cc2c(c1O)C(=O)C[C@H](OC)[C@H]2O
InChIInChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13-/m0/s1
InChIKeyYLSOOYDKHUEZQR-AAEUAGOBSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 15061196
8-ethyl-7-hydroxy-9-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 18361942
(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
CID 139587252
(3S,4S)-3,4,6,8-tetrahydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 132512649
6-ethyl-5-hydroxy-2,7-dimethoxynaphthalene-1,4-dione
CID 15061180
7-(1-ethoxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 162989509
(3S,4R)-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139589915
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
4,8-dihydroxy-7-(1-hydroxyethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 162911421
9,10-dihydroxy-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-anthracen-1-one
CID 11243134
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 139588653) is (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is CCc1c(OC)cc2c(c1O)C(=O)C[C@H](OC)[C@H]2O.
What is the InChIKey of (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YLSOOYDKHUEZQR-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
(3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 139588653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).