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

C15H22O2 — CID 143278538

IUPAC(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCC[C@@H]1CCc2cc(OC)c(O)cc2C1
InChIInChI=1S/C15H22O2/c1-3-4-5-11-6-7-12-10-15(17-2)14(16)9-13(12)8-11/h9-11,16H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWXJRCPKCQASPDY-LLVKDONJSA-N
MW234.34 g/mol
LogP3.70
Rot. Bonds4

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

(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 143278538) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID143278538
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCC[C@@H]1CCc2cc(OC)c(O)cc2C1
InChIInChI=1S/C15H22O2/c1-3-4-5-11-6-7-12-10-15(17-2)14(16)9-13(12)8-11/h9-11,16H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWXJRCPKCQASPDY-LLVKDONJSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59125893
3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10286122
6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59125895
methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 70363837
8-butyl-3-methoxy-7-methyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
CID 59125908
6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139848305
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139877548
7-fluoro-2-[2-(4-heptylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848617
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811

Frequently Asked Questions

What is the IUPAC name of (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol (CID 143278538) is (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is CCCC[C@@H]1CCc2cc(OC)c(O)cc2C1.
What is the InChIKey of (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WXJRCPKCQASPDY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-5-11-6-7-12-10-15(17-2)14(16)9-13(12)8-11/h9-11,16H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 143278538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).