1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene

C13H14O — CID 162161399

IUPAC1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
SMILESC#CCOc1ccccc1CC1CC1
InChIInChI=1S/C13H14O/c1-2-9-14-13-6-4-3-5-12(13)10-11-7-8-11/h1,3-6,11H,7-10H2
InChIKeyWZPXVBFDLQODSZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.65
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene

1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene (PubChem CID 162161399) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
PubChem CID162161399
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
SMILESC#CCOc1ccccc1CC1CC1
InChIInChI=1S/C13H14O/c1-2-9-14-13-6-4-3-5-12(13)10-11-7-8-11/h1,3-6,11H,7-10H2
InChIKeyWZPXVBFDLQODSZ-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.65
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-prop-2-ynoxyphenyl)methanamine;hydrochloride
CID 50988698
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
1-propyl-N-[(2-prop-2-ynoxyphenyl)methyl]piperidin-4-amine
CID 28718379
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
3,3-dimethyl-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 114544341
3-methoxy-N-[(2-prop-2-ynoxyphenyl)methyl]cyclopentan-1-amine
CID 103081772
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene?
The IUPAC name of 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene (CID 162161399) is 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene?
The canonical SMILES for 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene is C#CCOc1ccccc1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene?
The InChIKey is WZPXVBFDLQODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-9-14-13-6-4-3-5-12(13)10-11-7-8-11/h1,3-6,11H,7-10H2.
What are the key properties of 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene?
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene has a molecular weight of 186.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene is sourced from PubChem (CID 162161399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).