1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol

C29H40O — CID 174962517

IUPAC1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol
SMILESCCCCCCCC(=Cc1ccc(CCC)cc1)C(O)=Cc1ccc(CCC)cc1
InChIInChI=1S/C29H40O/c1-4-7-8-9-10-13-28(22-26-18-14-24(11-5-2)15-19-26)29(30)23-27-20-16-25(12-6-3)17-21-27/h14-23,30H,4-13H2,1-3H3
InChIKeyDTXIJQGJGDOUBV-UHFFFAOYSA-N
MW404.64 g/mol
LogP8.93
Rot. Bonds13

About 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol

1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol (PubChem CID 174962517) has the molecular formula C29H40O and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol.

Molecular Properties

Compound Name1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol
PubChem CID174962517
Molecular FormulaC29H40O
Molecular Weight404.64 g/mol
Exact Mass404.31
IUPAC Name1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol
SMILESCCCCCCCC(=Cc1ccc(CCC)cc1)C(O)=Cc1ccc(CCC)cc1
InChIInChI=1S/C29H40O/c1-4-7-8-9-10-13-28(22-26-18-14-24(11-5-2)15-19-26)29(30)23-27-20-16-25(12-6-3)17-21-27/h14-23,30H,4-13H2,1-3H3
InChIKeyDTXIJQGJGDOUBV-UHFFFAOYSA-N
XLogP8.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

hexanoic acid;4-propylbenzaldehyde
CID 175009771
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
(2E)-2-benzylideneheptanoic acid
CID 14318164
1-(4-propylphenyl)decan-1-one
CID 65449493
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367
2-benzylideneicosanamide
CID 167436455
3-[(4-octylphenyl)methylidene]pentane-2,4-dione
CID 19104285
1-[(E)-2-fluorohex-1-enyl]-4-(4-propylphenoxy)benzene
CID 22991614
(E)-2-amino-3-(4-propylphenyl)prop-2-enoic acid
CID 104830898
acetaldehyde;oct-1-en-2-ol;propylbenzene
CID 142058386

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol?
The IUPAC name of 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol (CID 174962517) is 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol.
What is the SMILES notation for 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol?
The canonical SMILES for 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol is CCCCCCCC(=Cc1ccc(CCC)cc1)C(O)=Cc1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol?
The InChIKey is DTXIJQGJGDOUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O/c1-4-7-8-9-10-13-28(22-26-18-14-24(11-5-2)15-19-26)29(30)23-27-20-16-25(12-6-3)17-21-27/h14-23,30H,4-13H2,1-3H3.
What are the key properties of 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol?
1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol has a molecular weight of 404.64 g/mol, XLogP of 8.93, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-3-[(4-propylphenyl)methylidene]dec-1-en-2-ol is sourced from PubChem (CID 174962517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).