1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol

C21H24O2 — CID 11594723

IUPAC1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol
SMILESC=CCC(O)C(OC)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2/c1-3-10-19(22)20(23-2)18-15-21(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18-20,22H,1,10,15H2,2H3
InChIKeyXIXTXSGULGVMQE-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.94
Rot. Bonds7

About 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol

1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol (PubChem CID 11594723) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol.

Molecular Properties

Compound Name1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol
PubChem CID11594723
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol
SMILESC=CCC(O)C(OC)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2/c1-3-10-19(22)20(23-2)18-15-21(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18-20,22H,1,10,15H2,2H3
InChIKeyXIXTXSGULGVMQE-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
[1-(2,2-diphenylcyclopropyl)-2-methylpropyl] 2,2,2-trifluoroacetate
CID 91438237
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
CID 134906102
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
CID 135015191
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol
CID 59901827
(1S,2R)-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol
CID 101003174
(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one
CID 158808434
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol?
The IUPAC name of 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol (CID 11594723) is 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol.
What is the SMILES notation for 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol?
The canonical SMILES for 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol is C=CCC(O)C(OC)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol?
The InChIKey is XIXTXSGULGVMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-10-19(22)20(23-2)18-15-21(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18-20,22H,1,10,15H2,2H3.
What are the key properties of 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol?
1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol has a molecular weight of 308.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol is sourced from PubChem (CID 11594723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).