1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol

C21H14O — CID 101184195

IUPAC1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
SMILESOC(C#CC#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H14O/c22-21(16-7-4-11-17-9-2-1-3-10-17)20-15-8-13-18-12-5-6-14-19(18)20/h1-3,5-6,8-10,12-15,21-22H
InChIKeyDMRUCUIEHFCMAJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.93
Rot. Bonds1

About 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol

1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol (PubChem CID 101184195) has the molecular formula C21H14O and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
PubChem CID101184195
Molecular FormulaC21H14O
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Name1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
SMILESOC(C#CC#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H14O/c22-21(16-7-4-11-17-9-2-1-3-10-17)20-15-8-13-18-12-5-6-14-19(18)20/h1-3,5-6,8-10,12-15,21-22H
InChIKeyDMRUCUIEHFCMAJ-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
1-naphthalen-1-ylundeca-2,4-diyne-1,6-diol
CID 142726642
1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
CID 134960735
1-[2-[2-(4-chlorophenyl)ethynyl]phenyl]-5-phenylpenta-2,4-diyn-1-ol
CID 139262695
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
7-phenylhepta-4,6-diyne-1,2,3-triol
CID 18534060
(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
CID 71614600
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-(1-phenylhex-1-yn-3-yl)naphthalene
CID 135008938
4-[di(propan-2-yl)amino]-1-naphthalen-1-ylbut-2-yn-1-ol
CID 101268197
1-(2-bromophenyl)-3-phenylprop-2-yn-1-ol
CID 11957893

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol?
The IUPAC name of 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol (CID 101184195) is 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol.
What is the SMILES notation for 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol?
The canonical SMILES for 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol is OC(C#CC#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol?
The InChIKey is DMRUCUIEHFCMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O/c22-21(16-7-4-11-17-9-2-1-3-10-17)20-15-8-13-18-12-5-6-14-19(18)20/h1-3,5-6,8-10,12-15,21-22H.
What are the key properties of 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol?
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol has a molecular weight of 282.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol is sourced from PubChem (CID 101184195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).