[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol

C25H29NO2 — CID 101076282

IUPAC[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(C(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29NO2/c1-18(2)19-6-8-20(9-7-19)25(27,22-12-16-24(28-5)17-13-22)21-10-14-23(15-11-21)26(3)4/h6-18,27H,1-5H3
InChIKeyPNWAQIFNAJDABP-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.17
Rot. Bonds6

About [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol

[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 101076282) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
PubChem CID101076282
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(C(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29NO2/c1-18(2)19-6-8-20(9-7-19)25(27,22-12-16-24(28-5)17-13-22)21-10-14-23(15-11-21)26(3)4/h6-18,27H,1-5H3
InChIKeyPNWAQIFNAJDABP-UHFFFAOYSA-N
XLogP5.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
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)-(2-propan-2-ylphenyl)methanol
CID 101076280
(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
CID 101076301
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 101076289
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol (CID 101076282) is [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol is COc1ccc(C(O)(c2ccc(C(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is PNWAQIFNAJDABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-18(2)19-6-8-20(9-7-19)25(27,22-12-16-24(28-5)17-13-22)21-10-14-23(15-11-21)26(3)4/h6-18,27H,1-5H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol?
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 375.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 101076282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).