6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol

C19H26O — CID 22600556

IUPAC6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol
SMILESCCC(C)(CC)c1ccc2c(C(C)C)c(O)ccc2c1
InChIInChI=1S/C19H26O/c1-6-19(5,7-2)15-9-10-16-14(12-15)8-11-17(20)18(16)13(3)4/h8-13,20H,6-7H2,1-5H3
InChIKeyCOFYGSQRCMXELU-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.75
Rot. Bonds4

About 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol

6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol (PubChem CID 22600556) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol
PubChem CID22600556
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol
SMILESCCC(C)(CC)c1ccc2c(C(C)C)c(O)ccc2c1
InChIInChI=1S/C19H26O/c1-6-19(5,7-2)15-9-10-16-14(12-15)8-11-17(20)18(16)13(3)4/h8-13,20H,6-7H2,1-5H3
InChIKeyCOFYGSQRCMXELU-UHFFFAOYSA-N
XLogP5.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol?
The IUPAC name of 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol (CID 22600556) is 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol.
What is the SMILES notation for 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol?
The canonical SMILES for 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol is CCC(C)(CC)c1ccc2c(C(C)C)c(O)ccc2c1.
What is the InChIKey of 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol?
The InChIKey is COFYGSQRCMXELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-6-19(5,7-2)15-9-10-16-14(12-15)8-11-17(20)18(16)13(3)4/h8-13,20H,6-7H2,1-5H3.
What are the key properties of 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol?
6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol has a molecular weight of 270.42 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol is sourced from PubChem (CID 22600556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).