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

C26H31NO2 — CID 101076301

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

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

(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol (PubChem CID 101076301) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
PubChem CID101076301
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
SMILESCCc1cc(CC)cc(C(O)(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C26H31NO2/c1-6-19-16-20(7-2)18-23(17-19)26(28,22-10-14-25(29-5)15-11-22)21-8-12-24(13-9-21)27(3)4/h8-18,28H,6-7H2,1-5H3
InChIKeyLZDNRKLOXSLEIA-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

[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
CID 15883905
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 101076289
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanol
CID 101076280
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol (CID 101076301) is (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol is CCc1cc(CC)cc(C(O)(c2ccc(OC)cc2)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is LZDNRKLOXSLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-6-19-16-20(7-2)18-23(17-19)26(28,22-10-14-25(29-5)15-11-22)21-8-12-24(13-9-21)27(3)4/h8-18,28H,6-7H2,1-5H3.
What are the key properties of (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol?
(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol 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 (3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 101076301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).