4-(6-methylnaphthalen-2-yl)butan-2-ol

C15H18O — CID 90680416

IUPAC4-(6-methylnaphthalen-2-yl)butan-2-ol
SMILESCc1ccc2cc(CCC(C)O)ccc2c1
InChIInChI=1S/C15H18O/c1-11-3-7-15-10-13(5-4-12(2)16)6-8-14(15)9-11/h3,6-10,12,16H,4-5H2,1-2H3
InChIKeyLRVWUMXNIJYNGA-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.46
Rot. Bonds3

About 4-(6-methylnaphthalen-2-yl)butan-2-ol

4-(6-methylnaphthalen-2-yl)butan-2-ol (PubChem CID 90680416) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(6-methylnaphthalen-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(6-methylnaphthalen-2-yl)butan-2-ol
PubChem CID90680416
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name4-(6-methylnaphthalen-2-yl)butan-2-ol
SMILESCc1ccc2cc(CCC(C)O)ccc2c1
InChIInChI=1S/C15H18O/c1-11-3-7-15-10-13(5-4-12(2)16)6-8-14(15)9-11/h3,6-10,12,16H,4-5H2,1-2H3
InChIKeyLRVWUMXNIJYNGA-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylnaphthalen-2-yl)butan-2-ol?
The IUPAC name of 4-(6-methylnaphthalen-2-yl)butan-2-ol (CID 90680416) is 4-(6-methylnaphthalen-2-yl)butan-2-ol.
What is the SMILES notation for 4-(6-methylnaphthalen-2-yl)butan-2-ol?
The canonical SMILES for 4-(6-methylnaphthalen-2-yl)butan-2-ol is Cc1ccc2cc(CCC(C)O)ccc2c1.
What is the InChIKey of 4-(6-methylnaphthalen-2-yl)butan-2-ol?
The InChIKey is LRVWUMXNIJYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11-3-7-15-10-13(5-4-12(2)16)6-8-14(15)9-11/h3,6-10,12,16H,4-5H2,1-2H3.
What are the key properties of 4-(6-methylnaphthalen-2-yl)butan-2-ol?
4-(6-methylnaphthalen-2-yl)butan-2-ol has a molecular weight of 214.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylnaphthalen-2-yl)butan-2-ol is sourced from PubChem (CID 90680416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).