(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C15H22O3 — CID 113305848

IUPAC(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cc2c(cc1OCC)[C@@H](O)CCC2C
InChIInChI=1S/C15H22O3/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13,16H,4-7H2,1-3H3/t10?,13-/m0/s1
InChIKeyVOSPCFCEYRXRGS-HQVZTVAUSA-N
MW250.34 g/mol
LogP3.41
Rot. Bonds4

About (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 113305848) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID113305848
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cc2c(cc1OCC)[C@@H](O)CCC2C
InChIInChI=1S/C15H22O3/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13,16H,4-7H2,1-3H3/t10?,13-/m0/s1
InChIKeyVOSPCFCEYRXRGS-HQVZTVAUSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417778
1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 113305881
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115483246
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305867
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
6,7-diethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 82027305
(1S)-9-methoxy-4-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
CID 113305846
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 113305848) is (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCOc1cc2c(cc1OCC)[C@@H](O)CCC2C.
What is the InChIKey of (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is VOSPCFCEYRXRGS-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13,16H,4-7H2,1-3H3/t10?,13-/m0/s1.
What are the key properties of (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 113305848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).