1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol

C20H24O3 — CID 174567840

IUPAC1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(CCCOCC2CO2)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C20H24O3/c21-20(11-4-14-22-15-19-16-23-19)12-9-18(10-13-20)8-7-17-5-2-1-3-6-17/h1-3,5-10,12,19,21H,4,11,13-16H2
InChIKeyMHSRJYDGLVKKIV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.51
Rot. Bonds8

About 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol

1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 174567840) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
PubChem CID174567840
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(CCCOCC2CO2)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C20H24O3/c21-20(11-4-14-22-15-19-16-23-19)12-9-18(10-13-20)8-7-17-5-2-1-3-6-17/h1-3,5-10,12,19,21H,4,11,13-16H2
InChIKeyMHSRJYDGLVKKIV-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[4,4-bis[3-(oxiran-2-ylmethoxy)propyl]cyclohexa-1,5-dien-1-yl]-phenylmethanone
CID 174954762
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
CID 174818397
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
hydroxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 101402997
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol (CID 174567840) is 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol is OC1(CCCOCC2CO2)C=CC(C=Cc2ccccc2)=CC1.
What is the InChIKey of 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is MHSRJYDGLVKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c21-20(11-4-14-22-15-19-16-23-19)12-9-18(10-13-20)8-7-17-5-2-1-3-6-17/h1-3,5-10,12,19,21H,4,11,13-16H2.
What are the key properties of 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 312.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174567840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).