(1-hydroxynaphthalen-2-yl)-phenylmethanone

C17H12O2 — CID 3670955

IUPAC(1-hydroxynaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H12O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-11,19H
InChIKeyTUJPRNXFVUWZAR-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.78
Rot. Bonds2

About (1-hydroxynaphthalen-2-yl)-phenylmethanone

(1-hydroxynaphthalen-2-yl)-phenylmethanone (PubChem CID 3670955) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is (1-hydroxynaphthalen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-hydroxynaphthalen-2-yl)-phenylmethanone
PubChem CID3670955
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name(1-hydroxynaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H12O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-11,19H
InChIKeyTUJPRNXFVUWZAR-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxynaphthalen-2-yl)-phenylmethanone?
The IUPAC name of (1-hydroxynaphthalen-2-yl)-phenylmethanone (CID 3670955) is (1-hydroxynaphthalen-2-yl)-phenylmethanone.
What is the SMILES notation for (1-hydroxynaphthalen-2-yl)-phenylmethanone?
The canonical SMILES for (1-hydroxynaphthalen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2ccccc2c1O.
What is the InChIKey of (1-hydroxynaphthalen-2-yl)-phenylmethanone?
The InChIKey is TUJPRNXFVUWZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-11,19H.
What are the key properties of (1-hydroxynaphthalen-2-yl)-phenylmethanone?
(1-hydroxynaphthalen-2-yl)-phenylmethanone has a molecular weight of 248.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxynaphthalen-2-yl)-phenylmethanone is sourced from PubChem (CID 3670955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).