2,3-bis(prop-2-ynoxy)naphthalen-1-ol

C16H12O3 — CID 155666633

IUPAC2,3-bis(prop-2-ynoxy)naphthalen-1-ol
SMILESC#CCOc1cc2ccccc2c(O)c1OCC#C
InChIInChI=1S/C16H12O3/c1-3-9-18-14-11-12-7-5-6-8-13(12)15(17)16(14)19-10-4-2/h1-2,5-8,11,17H,9-10H2
InChIKeyPGLDIHYZJBDQLP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.57
Rot. Bonds4

About 2,3-bis(prop-2-ynoxy)naphthalen-1-ol

2,3-bis(prop-2-ynoxy)naphthalen-1-ol (PubChem CID 155666633) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,3-bis(prop-2-ynoxy)naphthalen-1-ol.

Molecular Properties

Compound Name2,3-bis(prop-2-ynoxy)naphthalen-1-ol
PubChem CID155666633
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2,3-bis(prop-2-ynoxy)naphthalen-1-ol
SMILESC#CCOc1cc2ccccc2c(O)c1OCC#C
InChIInChI=1S/C16H12O3/c1-3-9-18-14-11-12-7-5-6-8-13(12)15(17)16(14)19-10-4-2/h1-2,5-8,11,17H,9-10H2
InChIKeyPGLDIHYZJBDQLP-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-ynoxynaphthalen-1-ol
CID 135353868
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
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
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
6-methyl-1,7-bis(prop-2-ynoxy)naphthalene
CID 167077992
4-prop-2-ynoxy-1H-quinolin-2-one
CID 46886224
3,4,5-trihydroxybenzoic acid;3,4,5-tris(prop-2-ynoxy)benzoic acid
CID 165057853
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
2-prop-2-enoxy-4-prop-2-ynoxyquinoline
CID 46886296
6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
CID 141246680

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-ynoxy)naphthalen-1-ol?
The IUPAC name of 2,3-bis(prop-2-ynoxy)naphthalen-1-ol (CID 155666633) is 2,3-bis(prop-2-ynoxy)naphthalen-1-ol.
What is the SMILES notation for 2,3-bis(prop-2-ynoxy)naphthalen-1-ol?
The canonical SMILES for 2,3-bis(prop-2-ynoxy)naphthalen-1-ol is C#CCOc1cc2ccccc2c(O)c1OCC#C.
What is the InChIKey of 2,3-bis(prop-2-ynoxy)naphthalen-1-ol?
The InChIKey is PGLDIHYZJBDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-3-9-18-14-11-12-7-5-6-8-13(12)15(17)16(14)19-10-4-2/h1-2,5-8,11,17H,9-10H2.
What are the key properties of 2,3-bis(prop-2-ynoxy)naphthalen-1-ol?
2,3-bis(prop-2-ynoxy)naphthalen-1-ol has a molecular weight of 252.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-ynoxy)naphthalen-1-ol is sourced from PubChem (CID 155666633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).