(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene

C19H20 — CID 601375

IUPAC(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene
SMILESCC=C(C)C1(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H20/c1-3-15(2)19(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16/h3-13,18H,14H2,1-2H3
InChIKeySRCQRTYUKHCZHK-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.08
Rot. Bonds3

About (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene

(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene (PubChem CID 601375) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene.

Molecular Properties

Compound Name(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene
PubChem CID601375
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene
SMILESCC=C(C)C1(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H20/c1-3-15(2)19(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16/h3-13,18H,14H2,1-2H3
InChIKeySRCQRTYUKHCZHK-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1,2-diphenylcyclopropanecarbonyl) adamantane-1-carboxylate
CID 134970549
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
CID 155932132
trans-methyl (1S,2R)-2-(4-tert-butylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 122384881
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
cis-methyl (1S,2S)-2-(4-cyanophenyl)-1-phenylcyclopropane-1-carboxylate
CID 71511985
trans-tert-butyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 139247049
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
1-(4-nitrophenyl)-2-phenylcyclopropane-1-carboxylic acid
CID 14787788
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
2-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-1-phenylcyclopropane-1-carboxylic acid
CID 130317393

Frequently Asked Questions

What is the IUPAC name of (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene?
The IUPAC name of (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene (CID 601375) is (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene.
What is the SMILES notation for (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene?
The canonical SMILES for (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene is CC=C(C)C1(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene?
The InChIKey is SRCQRTYUKHCZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-3-15(2)19(17-12-8-5-9-13-17)14-18(19)16-10-6-4-7-11-16/h3-13,18H,14H2,1-2H3.
What are the key properties of (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene?
(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-2-en-2-yl-2-phenylcyclopropyl)benzene is sourced from PubChem (CID 601375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).