6-methyl-1,7-bis(prop-2-ynoxy)naphthalene

C17H14O2 — CID 167077992

IUPAC6-methyl-1,7-bis(prop-2-ynoxy)naphthalene
SMILESC#CCOc1cc2c(OCC#C)cccc2cc1C
InChIInChI=1S/C17H14O2/c1-4-9-18-16-8-6-7-14-11-13(3)17(12-15(14)16)19-10-5-2/h1-2,6-8,11-12H,9-10H2,3H3
InChIKeyFRYJCLGWHDLQEN-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.17
Rot. Bonds4

About 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene

6-methyl-1,7-bis(prop-2-ynoxy)naphthalene (PubChem CID 167077992) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene.

Molecular Properties

Compound Name6-methyl-1,7-bis(prop-2-ynoxy)naphthalene
PubChem CID167077992
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name6-methyl-1,7-bis(prop-2-ynoxy)naphthalene
SMILESC#CCOc1cc2c(OCC#C)cccc2cc1C
InChIInChI=1S/C17H14O2/c1-4-9-18-16-8-6-7-14-11-13(3)17(12-15(14)16)19-10-5-2/h1-2,6-8,11-12H,9-10H2,3H3
InChIKeyFRYJCLGWHDLQEN-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
2,3-bis(prop-2-ynoxy)phenol
CID 139940757
6,7-bis(prop-2-ynoxy)naphthalene-1-carboxylic acid
CID 71368788
CID 175833725
CID 175833725
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829
2-methyl-6-prop-2-ynoxybenzoic acid
CID 174179997
2,3-bis(prop-2-ynoxy)naphthalen-1-ol
CID 155666633
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
1-methyl-7-(prop-2-ynoxymethyl)naphthalene
CID 170199430
3-ethoxy-2-prop-2-ynoxybenzonitrile
CID 100585615
1-methyl-2-nitro-3-prop-2-ynoxybenzene
CID 60772465
7-prop-2-ynoxy-1-benzofuran
CID 135362386

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene?
The IUPAC name of 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene (CID 167077992) is 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene.
What is the SMILES notation for 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene?
The canonical SMILES for 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene is C#CCOc1cc2c(OCC#C)cccc2cc1C.
What is the InChIKey of 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene?
The InChIKey is FRYJCLGWHDLQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-4-9-18-16-8-6-7-14-11-13(3)17(12-15(14)16)19-10-5-2/h1-2,6-8,11-12H,9-10H2,3H3.
What are the key properties of 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene?
6-methyl-1,7-bis(prop-2-ynoxy)naphthalene has a molecular weight of 250.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,7-bis(prop-2-ynoxy)naphthalene is sourced from PubChem (CID 167077992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).