(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol

C17H24ClNO2 — CID 144693484

IUPAC(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol
SMILESCOc1cc(C/C(C)=C/C=C/C(C)O)cc(N(C)C)c1Cl
InChIInChI=1S/C17H24ClNO2/c1-12(7-6-8-13(2)20)9-14-10-15(19(3)4)17(18)16(11-14)21-5/h6-8,10-11,13,20H,9H2,1-5H3/b8-6+,12-7+
InChIKeyIHAJJXMGWMYBLZ-ULBORTECSA-N
MW309.84 g/mol
LogP3.84
Rot. Bonds6

About (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol

(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol (PubChem CID 144693484) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol
PubChem CID144693484
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol
SMILESCOc1cc(C/C(C)=C/C=C/C(C)O)cc(N(C)C)c1Cl
InChIInChI=1S/C17H24ClNO2/c1-12(7-6-8-13(2)20)9-14-10-15(19(3)4)17(18)16(11-14)21-5/h6-8,10-11,13,20H,9H2,1-5H3/b8-6+,12-7+
InChIKeyIHAJJXMGWMYBLZ-ULBORTECSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-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

(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol;4-methylhex-1-ene
CID 144693483
4-[(2E,4E)-6-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-1-methoxy-5-methylhexa-2,4-dienyl]-6-ethyl-4-hydroxy-1,3-oxazinan-2-one
CID 126703959
N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide
CID 123660248
(4S)-N-[2-chloro-3-methoxy-5-[(2E,4E)-2-methylhepta-2,4-dienyl]phenyl]-4-methoxy-N-methylpentanamide
CID 135303688
N-[2-chloro-3-methoxy-5-[(2E)-2-methylpenta-2,4-dienyl]phenyl]-3-hydroxy-N-methyl-3-[(2R)-2-methyloxiran-2-yl]propanamide
CID 155442405
2-chloro-5-[(2E,4E)-2,7-dimethylnona-2,4-dienyl]-N-[4-[(2S,3S)-2,3-dimethyloxiran-2-yl]but-1-en-2-yl]-3-methoxy-N-methylaniline
CID 144935208
2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline
CID 163563816
(3S)-N-[2-chloro-5-[(2E,4E,6R)-6-[(4S,6R)-6-ethyl-4-hydroxy-2-oxo-1,3-oxazinan-4-yl]-6-methoxy-2-methylhexa-2,4-dienyl]-3-methoxyphenyl]-3-hydroxy-N-methyl-3-[(2R)-2-methyloxiran-2-yl]propanamide
CID 89377052
(3S)-N-[2-chloro-5-[(2E,4E)-2,7-dimethylnona-2,4-dienyl]-3-methoxyphenyl]-3-(2,3-dimethyloxiran-2-yl)-3-hydroxy-N-methylpropanamide;ethane;N-methylethanamine
CID 145224378
N-[2-chloro-5-[6-(6-ethyl-3-methyl-2-oxo-1,3-oxazinan-4-yl)-2-methylhepta-2,4-dienyl]-3-methoxyphenyl]-N-methyl-3-(2-methyloxiran-2-yl)propanamide
CID 123666040
[(3R)-1-[2-chloro-5-[(2E,4E,6R)-6-[(4S,6R)-4-hydroxy-6-[[(2S)-oxiran-2-yl]methyl]-2-oxo-1,3-oxazinan-4-yl]-6-methoxy-2-methylhexa-2,4-dienyl]-3-methoxy-N-methylanilino]-1-oxopentan-3-yl] (2R)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
CID 174191704
[(3S,5S)-1-[2-chloro-5-[(2E,4E)-7-hydroxy-2-methylhepta-2,4-dienyl]-3-methoxy-N-methylanilino]-5-hydroxy-4,4-dimethyl-1-oxohexan-3-yl] (2S)-2-[3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl-methylamino]propanoate
CID 142388505

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol (CID 144693484) is (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol is COc1cc(C/C(C)=C/C=C/C(C)O)cc(N(C)C)c1Cl.
What is the InChIKey of (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol?
The InChIKey is IHAJJXMGWMYBLZ-ULBORTECSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12(7-6-8-13(2)20)9-14-10-15(19(3)4)17(18)16(11-14)21-5/h6-8,10-11,13,20H,9H2,1-5H3/b8-6+,12-7+.
What are the key properties of (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol?
(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol has a molecular weight of 309.84 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol is sourced from PubChem (CID 144693484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).