1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol

C16H16O3 — CID 101173009

IUPAC1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O3/c1-2-9-18-11-15(17)12-19-16-8-7-13-5-3-4-6-14(13)10-16/h1,3-8,10,15,17H,9,11-12H2
InChIKeyVMHUANXPPJHWEM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.23
Rot. Bonds6

About 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol

1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol (PubChem CID 101173009) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol
PubChem CID101173009
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O3/c1-2-9-18-11-15(17)12-19-16-8-7-13-5-3-4-6-14(13)10-16/h1,3-8,10,15,17H,9,11-12H2
InChIKeyVMHUANXPPJHWEM-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 77143240
(2S)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 90373843
(2R)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 66562991
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
(2S)-1-[4-[2-[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 66562891
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol (CID 101173009) is 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol?
The InChIKey is VMHUANXPPJHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-9-18-11-15(17)12-19-16-8-7-13-5-3-4-6-14(13)10-16/h1,3-8,10,15,17H,9,11-12H2.
What are the key properties of 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol?
1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol has a molecular weight of 256.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yloxy-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 101173009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).