[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone

C24H20O2 — CID 122185118

IUPAC[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone
SMILESO=C(C1=C(O)/C(=C/c2cccc3ccccc23)CCC1)c1ccccc1
InChIInChI=1S/C24H20O2/c25-23(18-9-2-1-3-10-18)22-15-7-13-20(24(22)26)16-19-12-6-11-17-8-4-5-14-21(17)19/h1-6,8-12,14,16,26H,7,13,15H2/b20-16+
InChIKeyRYXQDHLQFUEPNH-CAPFRKAQSA-N
MW340.42 g/mol
LogP6.10
Rot. Bonds3

About [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone

[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone (PubChem CID 122185118) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone
PubChem CID122185118
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone
SMILESO=C(C1=C(O)/C(=C/c2cccc3ccccc23)CCC1)c1ccccc1
InChIInChI=1S/C24H20O2/c25-23(18-9-2-1-3-10-18)22-15-7-13-20(24(22)26)16-19-12-6-11-17-8-4-5-14-21(17)19/h1-6,8-12,14,16,26H,7,13,15H2/b20-16+
InChIKeyRYXQDHLQFUEPNH-CAPFRKAQSA-N
XLogP6.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone?
The IUPAC name of [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone (CID 122185118) is [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone.
What is the SMILES notation for [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone?
The canonical SMILES for [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone is O=C(C1=C(O)/C(=C/c2cccc3ccccc23)CCC1)c1ccccc1.
What is the InChIKey of [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone?
The InChIKey is RYXQDHLQFUEPNH-CAPFRKAQSA-N. The full InChI is InChI=1S/C24H20O2/c25-23(18-9-2-1-3-10-18)22-15-7-13-20(24(22)26)16-19-12-6-11-17-8-4-5-14-21(17)19/h1-6,8-12,14,16,26H,7,13,15H2/b20-16+.
What are the key properties of [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone?
[(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone has a molecular weight of 340.42 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-2-hydroxy-3-(naphthalen-1-ylmethylidene)cyclohexen-1-yl]-phenylmethanone is sourced from PubChem (CID 122185118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).