1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol

C29H20O — CID 102214825

IUPAC1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=C/Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C29H20O/c30-27-18-16-19-5-1-2-9-24(19)26(27)10-4-6-20-11-12-23-14-13-21-7-3-8-22-15-17-25(20)29(23)28(21)22/h1-5,7-18,30H,6H2/b10-4+
InChIKeyMLHFEFBWKXHCME-ONNFQVAWSA-N
MW384.48 g/mol
LogP7.70
Rot. Bonds3

About 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol

1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol (PubChem CID 102214825) has the molecular formula C29H20O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
PubChem CID102214825
Molecular FormulaC29H20O
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC Name1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=C/Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C29H20O/c30-27-18-16-19-5-1-2-9-24(19)26(27)10-4-6-20-11-12-23-14-13-21-7-3-8-22-15-17-25(20)29(23)28(21)22/h1-5,7-18,30H,6H2/b10-4+
InChIKeyMLHFEFBWKXHCME-ONNFQVAWSA-N
XLogP7.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824
3-pyren-1-ylprop-1-en-1-amine
CID 173238393
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-ethylpyrene;propane
CID 144711239
hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
1-ethylpyrene;methane
CID 142201759
hexahelicen-1-ol
CID 102137730
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
CID 44516242
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
9-benzylpyren-1-ol
CID 177414953

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol (CID 102214825) is 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=C/Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol?
The InChIKey is MLHFEFBWKXHCME-ONNFQVAWSA-N. The full InChI is InChI=1S/C29H20O/c30-27-18-16-19-5-1-2-9-24(19)26(27)10-4-6-20-11-12-23-14-13-21-7-3-8-22-15-17-25(20)29(23)28(21)22/h1-5,7-18,30H,6H2/b10-4+.
What are the key properties of 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol?
1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol has a molecular weight of 384.48 g/mol, XLogP of 7.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol is sourced from PubChem (CID 102214825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).