[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol

C26H31NO2 — CID 15883905

IUPAC[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
SMILESCCc1cc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc(CC)c1N(C)C
InChIInChI=1S/C26H31NO2/c1-6-19-17-23(18-20(7-2)25(19)27(3)4)26(28,21-11-9-8-10-12-21)22-13-15-24(29-5)16-14-22/h8-18,28H,6-7H2,1-5H3
InChIKeyYCZMJARGBLLOQD-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.17
Rot. Bonds7

About [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol

[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol (PubChem CID 15883905) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol.

Molecular Properties

Compound Name[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
PubChem CID15883905
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
SMILESCCc1cc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc(CC)c1N(C)C
InChIInChI=1S/C26H31NO2/c1-6-19-17-23(18-20(7-2)25(19)27(3)4)26(28,21-11-9-8-10-12-21)22-13-15-24(29-5)16-14-22/h8-18,28H,6-7H2,1-5H3
InChIKeyYCZMJARGBLLOQD-UHFFFAOYSA-N
XLogP5.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
CID 101076301
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 70515875
ethoxyethane;triphenylmethanol
CID 70428584

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol?
The IUPAC name of [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol (CID 15883905) is [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol.
What is the SMILES notation for [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol?
The canonical SMILES for [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol is CCc1cc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc(CC)c1N(C)C.
What is the InChIKey of [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol?
The InChIKey is YCZMJARGBLLOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-6-19-17-23(18-20(7-2)25(19)27(3)4)26(28,21-11-9-8-10-12-21)22-13-15-24(29-5)16-14-22/h8-18,28H,6-7H2,1-5H3.
What are the key properties of [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol?
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol has a molecular weight of 389.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol is sourced from PubChem (CID 15883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).