[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

C17H26O — CID 70686086

IUPAC[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCCC2CO
InChIInChI=1S/C17H26O/c1-12(2)7-9-15-13(3)8-10-16-14(11-18)5-4-6-17(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3
InChIKeyPEKUIEKQBFXHAW-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.00
Rot. Bonds4

About [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (PubChem CID 70686086) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
PubChem CID70686086
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCCC2CO
InChIInChI=1S/C17H26O/c1-12(2)7-9-15-13(3)8-10-16-14(11-18)5-4-6-17(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3
InChIKeyPEKUIEKQBFXHAW-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (CID 70686086) is [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is Cc1ccc2c(c1CCC(C)C)CCCC2CO.
What is the InChIKey of [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is PEKUIEKQBFXHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(2)7-9-15-13(3)8-10-16-14(11-18)5-4-6-17(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3.
What are the key properties of [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
[6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 246.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 70686086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).