(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol

C22H28ClNO — CID 69338670

IUPAC(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESC/C(=C/c1ccccc1)C(O)(Cc1cccc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C22H28ClNO/c1-17(13-19-9-6-5-7-10-19)22(25,18(2)16-24(3)4)15-20-11-8-12-21(23)14-20/h5-14,18,25H,15-16H2,1-4H3/b17-13-
InChIKeyHNHWCFZXJKLUPM-LGMDPLHJSA-N
MW357.93 g/mol
LogP4.91
Rot. Bonds7

About (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol

(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 69338670) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID69338670
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESC/C(=C/c1ccccc1)C(O)(Cc1cccc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C22H28ClNO/c1-17(13-19-9-6-5-7-10-19)22(25,18(2)16-24(3)4)15-20-11-8-12-21(23)14-20/h5-14,18,25H,15-16H2,1-4H3/b17-13-
InChIKeyHNHWCFZXJKLUPM-LGMDPLHJSA-N
XLogP4.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-[(4-chlorophenyl)methyl]-5-(dimethylamino)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ol
CID 69338748
3-(3,5-dichlorophenyl)-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339203
3-[(2-chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol;5-phenylhept-4-en-3-ol
CID 158336578
(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
CID 22642671
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
3-[6-(dimethylamino)-3-hydroxy-2,4-dimethyl-1-phenylhex-1-en-3-yl]phenol
CID 69339880
1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
CID 60919276
3-[[3-(3-chlorophenyl)-2,2-dimethylpropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122006055
1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol (CID 69338670) is (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is C/C(=C/c1ccccc1)C(O)(Cc1cccc(Cl)c1)C(C)CN(C)C.
What is the InChIKey of (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is HNHWCFZXJKLUPM-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-17(13-19-9-6-5-7-10-19)22(25,18(2)16-24(3)4)15-20-11-8-12-21(23)14-20/h5-14,18,25H,15-16H2,1-4H3/b17-13-.
What are the key properties of (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol?
(Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 357.93 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3-chlorophenyl)methyl]-5-(dimethylamino)-2,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 69338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).