[methoxy(prop-2-ynoxy)methyl]benzene

C11H12O2 — CID 150071968

IUPAC[methoxy(prop-2-ynoxy)methyl]benzene
SMILESC#CCOC(OC)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h1,4-8,11H,9H2,2H3
InChIKeyDPMALOBYQBBLKJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.98
Rot. Bonds4

About [methoxy(prop-2-ynoxy)methyl]benzene

[methoxy(prop-2-ynoxy)methyl]benzene (PubChem CID 150071968) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is [methoxy(prop-2-ynoxy)methyl]benzene.

Molecular Properties

Compound Name[methoxy(prop-2-ynoxy)methyl]benzene
PubChem CID150071968
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name[methoxy(prop-2-ynoxy)methyl]benzene
SMILESC#CCOC(OC)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h1,4-8,11H,9H2,2H3
InChIKeyDPMALOBYQBBLKJ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
(2-iodo-1-prop-2-ynoxyethyl)benzene
CID 25053624
(3S)-2-methyl-3-phenyl-3-prop-2-ynoxypropan-1-ol
CID 129208683
3-[methoxy(phenyl)methoxy]propane-1,2-diamine
CID 70238374
[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene
CID 139250875
1-prop-2-ynoxybuta-2,3-dienylbenzene
CID 11217642
(2-nitro-1-prop-2-ynoxyethyl)benzene
CID 10998150
2-methoxy-N-[(1S)-1-phenyl-2-prop-2-ynoxyethyl]aniline
CID 172645714
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
[cyclohex-3-en-1-ylmethoxy(methoxy)methyl]benzene
CID 145422856
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
prop-2-ynyl 2-phenylbutanoate
CID 78790069

Frequently Asked Questions

What is the IUPAC name of [methoxy(prop-2-ynoxy)methyl]benzene?
The IUPAC name of [methoxy(prop-2-ynoxy)methyl]benzene (CID 150071968) is [methoxy(prop-2-ynoxy)methyl]benzene.
What is the SMILES notation for [methoxy(prop-2-ynoxy)methyl]benzene?
The canonical SMILES for [methoxy(prop-2-ynoxy)methyl]benzene is C#CCOC(OC)c1ccccc1.
What is the InChIKey of [methoxy(prop-2-ynoxy)methyl]benzene?
The InChIKey is DPMALOBYQBBLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h1,4-8,11H,9H2,2H3.
What are the key properties of [methoxy(prop-2-ynoxy)methyl]benzene?
[methoxy(prop-2-ynoxy)methyl]benzene has a molecular weight of 176.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(prop-2-ynoxy)methyl]benzene is sourced from PubChem (CID 150071968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).