3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol

C27H32O4 — CID 177290569

IUPAC3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol
SMILESC=Cc1ccc(OCCOC)c(Cc2ccccccccc2OCCCO)c1C=C
InChIInChI=1S/C27H32O4/c1-4-22-15-16-27(31-20-19-29-3)25(24(22)5-2)21-23-13-10-8-6-7-9-11-14-26(23)30-18-12-17-28/h4-11,13-16,28H,1-2,12,17-21H2,3H3/b7-6-,8-6-,9-7-,10-8+,11-9+,13-10+,14-11+,23-13-,26-14+,26-23-
InChIKeyNJLDNGSXUFZPGB-KXTMGCQLSA-N
MW420.55 g/mol
LogP5.47
Rot. Bonds12

About 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol

3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol (PubChem CID 177290569) has the molecular formula C27H32O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol
PubChem CID177290569
Molecular FormulaC27H32O4
Molecular Weight420.55 g/mol
Exact Mass420.23
IUPAC Name3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol
SMILESC=Cc1ccc(OCCOC)c(Cc2ccccccccc2OCCCO)c1C=C
InChIInChI=1S/C27H32O4/c1-4-22-15-16-27(31-20-19-29-3)25(24(22)5-2)21-23-13-10-8-6-7-9-11-14-26(23)30-18-12-17-28/h4-11,13-16,28H,1-2,12,17-21H2,3H3/b7-6-,8-6-,9-7-,10-8+,11-9+,13-10+,14-11+,23-13-,26-14+,26-23-
InChIKeyNJLDNGSXUFZPGB-KXTMGCQLSA-N
XLogP5.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
4-[[2-(2-methoxyethoxy)phenyl]methyl]-5-methylbenzene-1,3-dicarboxylic acid
CID 151098682
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
CID 118268661
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
3-[(2-ethenylphenyl)methoxy]propan-1-ol
CID 22406179
1-ethenyl-2-heptadecoxybenzene
CID 139672731
3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine
CID 104662528

Frequently Asked Questions

What is the IUPAC name of 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol?
The IUPAC name of 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol (CID 177290569) is 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol?
The canonical SMILES for 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol is C=Cc1ccc(OCCOC)c(Cc2ccccccccc2OCCCO)c1C=C.
What is the InChIKey of 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol?
The InChIKey is NJLDNGSXUFZPGB-KXTMGCQLSA-N. The full InChI is InChI=1S/C27H32O4/c1-4-22-15-16-27(31-20-19-29-3)25(24(22)5-2)21-23-13-10-8-6-7-9-11-14-26(23)30-18-12-17-28/h4-11,13-16,28H,1-2,12,17-21H2,3H3/b7-6-,8-6-,9-7-,10-8+,11-9+,13-10+,14-11+,23-13-,26-14+,26-23-.
What are the key properties of 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol?
3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol has a molecular weight of 420.55 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[[2,3-bis(ethenyl)-6-(2-methoxyethoxy)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]oxypropan-1-ol is sourced from PubChem (CID 177290569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).