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

C18H28O2 — CID 10286122

IUPAC3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCC(CCCCC(C)C)C2
InChIInChI=1S/C18H28O2/c1-13(2)6-4-5-7-14-8-9-15-11-17(19)18(20-3)12-16(15)10-14/h11-14,19H,4-10H2,1-3H3
InChIKeyGNWOYPGTIVXYQB-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.72
Rot. Bonds6

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

3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 10286122) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID10286122
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCC(CCCCC(C)C)C2
InChIInChI=1S/C18H28O2/c1-13(2)6-4-5-7-14-8-9-15-11-17(19)18(20-3)12-16(15)10-14/h11-14,19H,4-10H2,1-3H3
InChIKeyGNWOYPGTIVXYQB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 10286122) is 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc2c(cc1O)CCC(CCCCC(C)C)C2.
What is the InChIKey of 3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GNWOYPGTIVXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)6-4-5-7-14-8-9-15-11-17(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-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-methoxy-6-(5-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-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10286122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).