3-methyl-4-propan-2-ylnaphthalen-1-ol

C14H16O — CID 163727490

IUPAC3-methyl-4-propan-2-ylnaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1C(C)C
InChIInChI=1S/C14H16O/c1-9(2)14-10(3)8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,1-3H3
InChIKeyVINUCWRGDLVIEK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.98
Rot. Bonds1

About 3-methyl-4-propan-2-ylnaphthalen-1-ol

3-methyl-4-propan-2-ylnaphthalen-1-ol (PubChem CID 163727490) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylnaphthalen-1-ol.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylnaphthalen-1-ol
PubChem CID163727490
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name3-methyl-4-propan-2-ylnaphthalen-1-ol
SMILESCc1cc(O)c2ccccc2c1C(C)C
InChIInChI=1S/C14H16O/c1-9(2)14-10(3)8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,1-3H3
InChIKeyVINUCWRGDLVIEK-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylnaphthalen-1-ol?
The IUPAC name of 3-methyl-4-propan-2-ylnaphthalen-1-ol (CID 163727490) is 3-methyl-4-propan-2-ylnaphthalen-1-ol.
What is the SMILES notation for 3-methyl-4-propan-2-ylnaphthalen-1-ol?
The canonical SMILES for 3-methyl-4-propan-2-ylnaphthalen-1-ol is Cc1cc(O)c2ccccc2c1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-ylnaphthalen-1-ol?
The InChIKey is VINUCWRGDLVIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-9(2)14-10(3)8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-ylnaphthalen-1-ol?
3-methyl-4-propan-2-ylnaphthalen-1-ol has a molecular weight of 200.28 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-ylnaphthalen-1-ol is sourced from PubChem (CID 163727490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).