4-(6-hydroxynaphthalen-2-yl)butan-2-one

C14H14O2 — CID 71374602

IUPAC4-(6-hydroxynaphthalen-2-yl)butan-2-one
SMILESCC(=O)CCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H14O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9,16H,2-3H2,1H3
InChIKeyMLTSMDXZECLWCK-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.07
Rot. Bonds3

About 4-(6-hydroxynaphthalen-2-yl)butan-2-one

4-(6-hydroxynaphthalen-2-yl)butan-2-one (PubChem CID 71374602) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(6-hydroxynaphthalen-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-hydroxynaphthalen-2-yl)butan-2-one
PubChem CID71374602
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-(6-hydroxynaphthalen-2-yl)butan-2-one
SMILESCC(=O)CCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H14O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9,16H,2-3H2,1H3
InChIKeyMLTSMDXZECLWCK-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxynaphthalen-2-yl)butan-2-one?
The IUPAC name of 4-(6-hydroxynaphthalen-2-yl)butan-2-one (CID 71374602) is 4-(6-hydroxynaphthalen-2-yl)butan-2-one.
What is the SMILES notation for 4-(6-hydroxynaphthalen-2-yl)butan-2-one?
The canonical SMILES for 4-(6-hydroxynaphthalen-2-yl)butan-2-one is CC(=O)CCc1ccc2cc(O)ccc2c1.
What is the InChIKey of 4-(6-hydroxynaphthalen-2-yl)butan-2-one?
The InChIKey is MLTSMDXZECLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9,16H,2-3H2,1H3.
What are the key properties of 4-(6-hydroxynaphthalen-2-yl)butan-2-one?
4-(6-hydroxynaphthalen-2-yl)butan-2-one has a molecular weight of 214.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxynaphthalen-2-yl)butan-2-one is sourced from PubChem (CID 71374602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).