2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene

C17H16O — CID 170196742

IUPAC2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(C=C(C)C)ccc2c1
InChIInChI=1S/C17H16O/c1-4-9-18-17-8-7-15-11-14(10-13(2)3)5-6-16(15)12-17/h1,5-8,10-12H,9H2,2-3H3
InChIKeyQAAFLTFOSABTOP-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.28
Rot. Bonds3

About 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene

2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene (PubChem CID 170196742) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
PubChem CID170196742
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(C=C(C)C)ccc2c1
InChIInChI=1S/C17H16O/c1-4-9-18-17-8-7-15-11-14(10-13(2)3)5-6-16(15)12-17/h1,5-8,10-12H,9H2,2-3H3
InChIKeyQAAFLTFOSABTOP-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.28
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

2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
[4-[(Z)-2-[4-(4-prop-2-ynoxybenzoyl)oxyphenyl]prop-1-enyl]phenyl] 4-prop-2-ynoxybenzoate
CID 100952948
(Z)-4-oxo-4-(7-prop-2-ynoxynaphthalen-2-yl)oxybut-2-enoic acid
CID 171425982
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
7-prop-2-ynoxyisoquinoline-3-carboxylic acid
CID 91044374
(E)-3-(3-prop-2-ynoxyphenyl)prop-2-enoyl chloride
CID 118892491
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-(3-ethyl-3-methylpentan-2-yl)-6-prop-2-ynoxynaphthalene
CID 163569988
1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
CID 125487739
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene?
The IUPAC name of 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene (CID 170196742) is 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene?
The canonical SMILES for 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene is C#CCOc1ccc2cc(C=C(C)C)ccc2c1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene?
The InChIKey is QAAFLTFOSABTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-4-9-18-17-8-7-15-11-14(10-13(2)3)5-6-16(15)12-17/h1,5-8,10-12H,9H2,2-3H3.
What are the key properties of 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene?
2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene has a molecular weight of 236.31 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene is sourced from PubChem (CID 170196742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).