butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C22H30O2 — CID 143278519

IUPACbutane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1c2ccc(O)cc2CC[C@@H]1c1ccc(O)cc1.CCCC
InChIInChI=1S/C18H20O2.C4H10/c1-2-16-17(12-3-6-14(19)7-4-12)9-5-13-11-15(20)8-10-18(13)16;1-3-4-2/h3-4,6-8,10-11,16-17,19-20H,2,5,9H2,1H3;3-4H2,1-2H3/t16?,17-;/m1./s1
InChIKeyTUDQXLNUEUBSHC-KOUJAAPTSA-N
MW326.48 g/mol
LogP6.13
Rot. Bonds3

About butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol

butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 143278519) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Namebutane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID143278519
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Namebutane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC1c2ccc(O)cc2CC[C@@H]1c1ccc(O)cc1.CCCC
InChIInChI=1S/C18H20O2.C4H10/c1-2-16-17(12-3-6-14(19)7-4-12)9-5-13-11-15(20)8-10-18(13)16;1-3-4-2/h3-4,6-8,10-11,16-17,19-20H,2,5,9H2,1H3;3-4H2,1-2H3/t16?,17-;/m1./s1
InChIKeyTUDQXLNUEUBSHC-KOUJAAPTSA-N
XLogP6.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 143278519) is butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CCC1c2ccc(O)cc2CC[C@@H]1c1ccc(O)cc1.CCCC.
What is the InChIKey of butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is TUDQXLNUEUBSHC-KOUJAAPTSA-N. The full InChI is InChI=1S/C18H20O2.C4H10/c1-2-16-17(12-3-6-14(19)7-4-12)9-5-13-11-15(20)8-10-18(13)16;1-3-4-2/h3-4,6-8,10-11,16-17,19-20H,2,5,9H2,1H3;3-4H2,1-2H3/t16?,17-;/m1./s1.
What are the key properties of butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 326.48 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(6S)-5-ethyl-6-(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 143278519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).