1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one

C14H14O2 — CID 81252338

IUPAC1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C14H14O2/c1-9(2)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,15H,1-2H3
InChIKeyRCNZHFXQKFCIEL-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one

1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one (PubChem CID 81252338) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
PubChem CID81252338
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C14H14O2/c1-9(2)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,15H,1-2H3
InChIKeyRCNZHFXQKFCIEL-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one (CID 81252338) is 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one?
The InChIKey is RCNZHFXQKFCIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9(2)14(16)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,15H,1-2H3.
What are the key properties of 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one?
1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 81252338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).