1-(1-phenylhex-1-yn-3-yl)naphthalene

C22H20 — CID 135008938

IUPAC1-(1-phenylhex-1-yn-3-yl)naphthalene
SMILESCCCC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H20/c1-2-9-19(17-16-18-10-4-3-5-11-18)22-15-8-13-20-12-6-7-14-21(20)22/h3-8,10-15,19H,2,9H2,1H3
InChIKeyYUYHDALRSTZMFG-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.78
Rot. Bonds3

About 1-(1-phenylhex-1-yn-3-yl)naphthalene

1-(1-phenylhex-1-yn-3-yl)naphthalene (PubChem CID 135008938) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-phenylhex-1-yn-3-yl)naphthalene.

Molecular Properties

Compound Name1-(1-phenylhex-1-yn-3-yl)naphthalene
PubChem CID135008938
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-(1-phenylhex-1-yn-3-yl)naphthalene
SMILESCCCC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H20/c1-2-9-19(17-16-18-10-4-3-5-11-18)22-15-8-13-20-12-6-7-14-21(20)22/h3-8,10-15,19H,2,9H2,1H3
InChIKeyYUYHDALRSTZMFG-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
CID 134960735
3-fluorohex-1-ynylbenzene
CID 135044273
1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol
CID 53243276
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
2-naphthalen-1-ylpentanoate
CID 154825316
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
1-octacosan-4-ylnaphthalene
CID 54149804

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylhex-1-yn-3-yl)naphthalene?
The IUPAC name of 1-(1-phenylhex-1-yn-3-yl)naphthalene (CID 135008938) is 1-(1-phenylhex-1-yn-3-yl)naphthalene.
What is the SMILES notation for 1-(1-phenylhex-1-yn-3-yl)naphthalene?
The canonical SMILES for 1-(1-phenylhex-1-yn-3-yl)naphthalene is CCCC(C#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-phenylhex-1-yn-3-yl)naphthalene?
The InChIKey is YUYHDALRSTZMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-2-9-19(17-16-18-10-4-3-5-11-18)22-15-8-13-20-12-6-7-14-21(20)22/h3-8,10-15,19H,2,9H2,1H3.
What are the key properties of 1-(1-phenylhex-1-yn-3-yl)naphthalene?
1-(1-phenylhex-1-yn-3-yl)naphthalene has a molecular weight of 284.40 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylhex-1-yn-3-yl)naphthalene is sourced from PubChem (CID 135008938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).