(2-ethenyl-3-methoxycyclopropyl)benzene

C12H14O — CID 85271812

IUPAC(2-ethenyl-3-methoxycyclopropyl)benzene
SMILESC=CC1C(OC)C1c1ccccc1
InChIInChI=1S/C12H14O/c1-3-10-11(12(10)13-2)9-7-5-4-6-8-9/h3-8,10-12H,1H2,2H3
InChIKeyHAPJZHLISHSOKB-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.60
Rot. Bonds3

About (2-ethenyl-3-methoxycyclopropyl)benzene

(2-ethenyl-3-methoxycyclopropyl)benzene (PubChem CID 85271812) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-ethenyl-3-methoxycyclopropyl)benzene.

Molecular Properties

Compound Name(2-ethenyl-3-methoxycyclopropyl)benzene
PubChem CID85271812
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2-ethenyl-3-methoxycyclopropyl)benzene
SMILESC=CC1C(OC)C1c1ccccc1
InChIInChI=1S/C12H14O/c1-3-10-11(12(10)13-2)9-7-5-4-6-8-9/h3-8,10-12H,1H2,2H3
InChIKeyHAPJZHLISHSOKB-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,3S)-2-ethynyl-3-methoxycyclopropyl]benzene
CID 91147998
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
(2R,4aR,6S,7S,8R,8aR)-2-ethenyl-7,8-dimethoxy-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 16742818
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene
CID 101075610
(2S,3aR,4S,6R,7S,7aR)-7-methoxy-4-methyl-2-phenyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 170858153
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane
CID 101356629
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
CID 10354669
(4-ethenyl-5-phenyloxolan-3-yl)methanol
CID 101456903
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-3-methoxycyclopropyl)benzene?
The IUPAC name of (2-ethenyl-3-methoxycyclopropyl)benzene (CID 85271812) is (2-ethenyl-3-methoxycyclopropyl)benzene.
What is the SMILES notation for (2-ethenyl-3-methoxycyclopropyl)benzene?
The canonical SMILES for (2-ethenyl-3-methoxycyclopropyl)benzene is C=CC1C(OC)C1c1ccccc1.
What is the InChIKey of (2-ethenyl-3-methoxycyclopropyl)benzene?
The InChIKey is HAPJZHLISHSOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-10-11(12(10)13-2)9-7-5-4-6-8-9/h3-8,10-12H,1H2,2H3.
What are the key properties of (2-ethenyl-3-methoxycyclopropyl)benzene?
(2-ethenyl-3-methoxycyclopropyl)benzene has a molecular weight of 174.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-3-methoxycyclopropyl)benzene is sourced from PubChem (CID 85271812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).