1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one

C38H26O2 — CID 164951391

IUPAC1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)c1cccc2ccccc12.OC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H14O.C19H12O/c2*20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-20H;1-12H
InChIKeyAOTDDVTUXLENHC-UHFFFAOYSA-N
MW514.62 g/mol
LogP8.00
Rot. Bonds2

About 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one

1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one (PubChem CID 164951391) has the molecular formula C38H26O2 and a molecular weight of 514.62 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
PubChem CID164951391
Molecular FormulaC38H26O2
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)c1cccc2ccccc12.OC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H14O.C19H12O/c2*20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-20H;1-12H
InChIKeyAOTDDVTUXLENHC-UHFFFAOYSA-N
XLogP8.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084
1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
CID 134960735
(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
CID 71614600
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-(2-bromophenyl)-3-phenylprop-2-yn-1-ol
CID 11957893
N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
CID 175354087
1-(1-phenylhex-1-yn-3-yl)naphthalene
CID 135008938
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
1-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-3-phenylprop-2-yn-1-one
CID 175236811

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one (CID 164951391) is 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one is O=C(C#Cc1ccccc1)c1cccc2ccccc12.OC(C#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one?
The InChIKey is AOTDDVTUXLENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C19H12O/c2*20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19-20H;1-12H.
What are the key properties of 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one?
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one has a molecular weight of 514.62 g/mol, XLogP of 8.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 164951391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).