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

C19H30O2 — CID 59125895

IUPAC6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCC(CCCC(C)C(C)C)C2
InChIInChI=1S/C19H30O2/c1-13(2)14(3)6-5-7-15-8-9-16-11-18(20)19(21-4)12-17(16)10-15/h11-15,20H,5-10H2,1-4H3
InChIKeyMMGICFGVVCHVKJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.97
Rot. Bonds6

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

6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 59125895) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID59125895
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2c(cc1O)CCC(CCCC(C)C(C)C)C2
InChIInChI=1S/C19H30O2/c1-13(2)14(3)6-5-7-15-8-9-16-11-18(20)19(21-4)12-17(16)10-15/h11-15,20H,5-10H2,1-4H3
InChIKeyMMGICFGVVCHVKJ-UHFFFAOYSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (CID 59125895) is 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc2c(cc1O)CCC(CCCC(C)C(C)C)C2.
What is the InChIKey of 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MMGICFGVVCHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-13(2)14(3)6-5-7-15-8-9-16-11-18(20)19(21-4)12-17(16)10-15/h11-15,20H,5-10H2,1-4H3.
What are the key properties of 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 290.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 59125895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).