1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene

C20H16O — CID 134960735

IUPAC1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
SMILESCOC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H16O/c1-21-20(15-14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20H,1H3
InChIKeyVKJATPPACUHZTQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.58
Rot. Bonds2

About 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene

1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene (PubChem CID 134960735) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene.

Molecular Properties

Compound Name1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
PubChem CID134960735
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene
SMILESCOC(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H16O/c1-21-20(15-14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20H,1H3
InChIKeyVKJATPPACUHZTQ-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[2-(1-methoxy-3-phenylprop-2-ynyl)phenyl]ethynyl]benzene
CID 121348422
2-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]naphthalene
CID 121355072
1-(1-phenylhex-1-yn-3-yl)naphthalene
CID 135008938
1-naphthalen-1-yl-5-phenylpenta-2,4-diyn-1-ol
CID 101184195
1-(1-methoxybut-2-ynyl)-2-(2-phenylethynyl)benzene
CID 121358913
1-(1-methoxy-3-phenylprop-2-ynyl)-4,5-dimethyl-2-(2-phenylethynyl)benzene
CID 121355071
1-[3-methoxy-3-[2-(2-phenylethynyl)phenyl]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 121348435
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene?
The IUPAC name of 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene (CID 134960735) is 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene.
What is the SMILES notation for 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene?
The canonical SMILES for 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene is COC(C#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene?
The InChIKey is VKJATPPACUHZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-21-20(15-14-16-8-3-2-4-9-16)19-13-7-11-17-10-5-6-12-18(17)19/h2-13,20H,1H3.
What are the key properties of 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene?
1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene has a molecular weight of 272.35 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-phenylprop-2-ynyl)naphthalene is sourced from PubChem (CID 134960735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).