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

C15H22O — CID 115483246

IUPAC(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCc1cc2c(cc1CC)[C@@H](O)CCC2C
InChIInChI=1S/C15H22O/c1-4-11-8-13-10(3)6-7-15(16)14(13)9-12(11)5-2/h8-10,15-16H,4-7H2,1-3H3/t10?,15-/m0/s1
InChIKeyYTCLJVOSEJSGAW-WRXSAAJRSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds2

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

(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115483246) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115483246
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCc1cc2c(cc1CC)[C@@H](O)CCC2C
InChIInChI=1S/C15H22O/c1-4-11-8-13-10(3)6-7-15(16)14(13)9-12(11)5-2/h8-10,15-16H,4-7H2,1-3H3/t10?,15-/m0/s1
InChIKeyYTCLJVOSEJSGAW-WRXSAAJRSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115483246) is (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCc1cc2c(cc1CC)[C@@H](O)CCC2C.
What is the InChIKey of (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YTCLJVOSEJSGAW-WRXSAAJRSA-N. The full InChI is InChI=1S/C15H22O/c1-4-11-8-13-10(3)6-7-15(16)14(13)9-12(11)5-2/h8-10,15-16H,4-7H2,1-3H3/t10?,15-/m0/s1.
What are the key properties of (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).