3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C18H28O2 — CID 59125893

IUPAC3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)CCCC1CCc2cc(O)c(OC)cc2C1
InChIInChI=1S/C18H28O2/c1-4-13(2)6-5-7-14-8-9-15-11-17(19)18(20-3)12-16(15)10-14/h11-14,19H,4-10H2,1-3H3
InChIKeyCZJQBYAPDATIDU-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.72
Rot. Bonds6

About 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 59125893) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID59125893
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCC(C)CCCC1CCc2cc(O)c(OC)cc2C1
InChIInChI=1S/C18H28O2/c1-4-13(2)6-5-7-14-8-9-15-11-17(19)18(20-3)12-16(15)10-14/h11-14,19H,4-10H2,1-3H3
InChIKeyCZJQBYAPDATIDU-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 59125893) is 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CCC(C)CCCC1CCc2cc(O)c(OC)cc2C1.
What is the InChIKey of 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CZJQBYAPDATIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-13(2)6-5-7-14-8-9-15-11-17(19)18(20-3)12-16(15)10-14/h11-14,19H,4-10H2,1-3H3.
What are the key properties of 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 276.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 59125893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).