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

C15H18O2 — CID 10911373

IUPAC4-(6-methoxynaphthalen-2-yl)butan-2-ol
SMILESCOc1ccc2cc(CCC(C)O)ccc2c1
InChIInChI=1S/C15H18O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-11,16H,3-4H2,1-2H3
InChIKeyJNVOSYBERVWSGY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds4

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

4-(6-methoxynaphthalen-2-yl)butan-2-ol (PubChem CID 10911373) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)butan-2-ol
PubChem CID10911373
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-(6-methoxynaphthalen-2-yl)butan-2-ol
SMILESCOc1ccc2cc(CCC(C)O)ccc2c1
InChIInChI=1S/C15H18O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-11,16H,3-4H2,1-2H3
InChIKeyJNVOSYBERVWSGY-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)butan-2-ol?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)butan-2-ol (CID 10911373) is 4-(6-methoxynaphthalen-2-yl)butan-2-ol.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)butan-2-ol?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)butan-2-ol is COc1ccc2cc(CCC(C)O)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)butan-2-ol?
The InChIKey is JNVOSYBERVWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-11,16H,3-4H2,1-2H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)butan-2-ol?
4-(6-methoxynaphthalen-2-yl)butan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)butan-2-ol is sourced from PubChem (CID 10911373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).