(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol

C23H25NO3 — CID 101076305

IUPAC(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H25NO3/c1-24(2)19-12-10-18(11-13-19)23(25,17-8-6-5-7-9-17)21-15-14-20(26-3)16-22(21)27-4/h5-16,25H,1-4H3
InChIKeyCWRNADBEVCTVFN-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.05
Rot. Bonds6

About (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol

(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol (PubChem CID 101076305) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
PubChem CID101076305
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
SMILESCOc1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C23H25NO3/c1-24(2)19-12-10-18(11-13-19)23(25,17-8-6-5-7-9-17)21-15-14-20(26-3)16-22(21)27-4/h5-16,25H,1-4H3
InChIKeyCWRNADBEVCTVFN-UHFFFAOYSA-N
XLogP4.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
(3,6-dimethoxynaphthalen-2-yl)-(2,4-dimethoxyphenyl)-phenylmethanol
CID 70908135
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 101076289
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanol
CID 101076280
1-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
(3-methoxynaphthalen-2-yl)-diphenylmethanol
CID 135034011
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
CID 101076301
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
CID 15883905

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol (CID 101076305) is (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol is COc1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol?
The InChIKey is CWRNADBEVCTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-24(2)19-12-10-18(11-13-19)23(25,17-8-6-5-7-9-17)21-15-14-20(26-3)16-22(21)27-4/h5-16,25H,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol?
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol has a molecular weight of 363.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol is sourced from PubChem (CID 101076305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).