3-(cyclopropen-1-yl)propoxybenzene

C12H14O — CID 67452445

IUPAC3-(cyclopropen-1-yl)propoxybenzene
SMILESC1=C(CCCOc2ccccc2)C1
InChIInChI=1S/C12H14O/c1-2-6-12(7-3-1)13-10-4-5-11-8-9-11/h1-3,6-8H,4-5,9-10H2
InChIKeyXOOOVZQRVALPRV-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.18
Rot. Bonds5

About 3-(cyclopropen-1-yl)propoxybenzene

3-(cyclopropen-1-yl)propoxybenzene (PubChem CID 67452445) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(cyclopropen-1-yl)propoxybenzene.

Molecular Properties

Compound Name3-(cyclopropen-1-yl)propoxybenzene
PubChem CID67452445
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-(cyclopropen-1-yl)propoxybenzene
SMILESC1=C(CCCOc2ccccc2)C1
InChIInChI=1S/C12H14O/c1-2-6-12(7-3-1)13-10-4-5-11-8-9-11/h1-3,6-8H,4-5,9-10H2
InChIKeyXOOOVZQRVALPRV-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22399981
3-(3-phenoxypropyl)cyclohex-2-en-1-amine
CID 65171997
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CID 163598363
3-(3-phenoxypropyl)cyclohept-2-en-1-amine
CID 107383088
3-phenoxypropane-1-thiol
CID 18792707
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropen-1-yl)propoxybenzene?
The IUPAC name of 3-(cyclopropen-1-yl)propoxybenzene (CID 67452445) is 3-(cyclopropen-1-yl)propoxybenzene.
What is the SMILES notation for 3-(cyclopropen-1-yl)propoxybenzene?
The canonical SMILES for 3-(cyclopropen-1-yl)propoxybenzene is C1=C(CCCOc2ccccc2)C1.
What is the InChIKey of 3-(cyclopropen-1-yl)propoxybenzene?
The InChIKey is XOOOVZQRVALPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-6-12(7-3-1)13-10-4-5-11-8-9-11/h1-3,6-8H,4-5,9-10H2.
What are the key properties of 3-(cyclopropen-1-yl)propoxybenzene?
3-(cyclopropen-1-yl)propoxybenzene has a molecular weight of 174.24 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropen-1-yl)propoxybenzene is sourced from PubChem (CID 67452445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).