(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol

C18H28ClNO — CID 98523239

IUPAC(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol
SMILESCCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-4-5-6-10-16(14-20(2)3)18(21)13-12-15-9-7-8-11-17(15)19/h7-9,11-13,16,18,21H,4-6,10,14H2,1-3H3/b13-12-/t16-,18-/m1/s1
InChIKeyJWECFDHHHFPOGP-VKJYAMAFSA-N
MW309.88 g/mol
LogP4.47
Rot. Bonds9

About (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol

(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol (PubChem CID 98523239) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol.

Molecular Properties

Compound Name(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol
PubChem CID98523239
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol
SMILESCCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccccc1Cl
InChIInChI=1S/C18H28ClNO/c1-4-5-6-10-16(14-20(2)3)18(21)13-12-15-9-7-8-11-17(15)19/h7-9,11-13,16,18,21H,4-6,10,14H2,1-3H3/b13-12-/t16-,18-/m1/s1
InChIKeyJWECFDHHHFPOGP-VKJYAMAFSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-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

(E,3R,4S)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-ol
CID 92970899
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
(E,3R,4S)-1-[2-[(2S)-2-hydroxyheptyl]phenyl]oct-1-ene-3,4-diol
CID 59263593
1-chloro-2-ethenylbenzene;pentane
CID 174548012
(E,5S,6R)-5,6-dihydroxy-8-[2-[(E,3R)-3-hydroxyoct-1-enyl]phenyl]oct-7-enal
CID 126603596
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
methyl (E,5S)-7-[2-[(E,3S,4R)-3,4-dihydroxynon-1-enyl]phenyl]-5-hydroxyhept-6-enoate
CID 155596130
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
(E)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-one;hydrochloride
CID 6440190
2-[2-(2-chlorophenyl)ethenylsulfonyl]-4-[2-ethylhexyl(methyl)amino]benzenediazonium
CID 72510780

Frequently Asked Questions

What is the IUPAC name of (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol?
The IUPAC name of (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol (CID 98523239) is (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol.
What is the SMILES notation for (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol?
The canonical SMILES for (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol is CCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccccc1Cl.
What is the InChIKey of (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol?
The InChIKey is JWECFDHHHFPOGP-VKJYAMAFSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-5-6-10-16(14-20(2)3)18(21)13-12-15-9-7-8-11-17(15)19/h7-9,11-13,16,18,21H,4-6,10,14H2,1-3H3/b13-12-/t16-,18-/m1/s1.
What are the key properties of (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol?
(Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol has a molecular weight of 309.88 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4R)-1-(2-chlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-ol is sourced from PubChem (CID 98523239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).