bis[4-(4-methoxy-N-methylanilino)phenyl]methanol

C29H30N2O3 — CID 139653192

IUPACbis[4-(4-methoxy-N-methylanilino)phenyl]methanol
SMILESCOc1ccc(N(C)c2ccc(C(O)c3ccc(N(C)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2O3/c1-30(25-13-17-27(33-3)18-14-25)23-9-5-21(6-10-23)29(32)22-7-11-24(12-8-22)31(2)26-15-19-28(34-4)20-16-26/h5-20,29,32H,1-4H3
InChIKeySWIVYURELUAMHB-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.32
Rot. Bonds8

About bis[4-(4-methoxy-N-methylanilino)phenyl]methanol

bis[4-(4-methoxy-N-methylanilino)phenyl]methanol (PubChem CID 139653192) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is bis[4-(4-methoxy-N-methylanilino)phenyl]methanol.

Molecular Properties

Compound Namebis[4-(4-methoxy-N-methylanilino)phenyl]methanol
PubChem CID139653192
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Namebis[4-(4-methoxy-N-methylanilino)phenyl]methanol
SMILESCOc1ccc(N(C)c2ccc(C(O)c3ccc(N(C)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2O3/c1-30(25-13-17-27(33-3)18-14-25)23-9-5-21(6-10-23)29(32)22-7-11-24(12-8-22)31(2)26-15-19-28(34-4)20-16-26/h5-20,29,32H,1-4H3
InChIKeySWIVYURELUAMHB-UHFFFAOYSA-N
XLogP6.32
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-methoxy-N-methylanilino)phenyl]methanol?
The IUPAC name of bis[4-(4-methoxy-N-methylanilino)phenyl]methanol (CID 139653192) is bis[4-(4-methoxy-N-methylanilino)phenyl]methanol.
What is the SMILES notation for bis[4-(4-methoxy-N-methylanilino)phenyl]methanol?
The canonical SMILES for bis[4-(4-methoxy-N-methylanilino)phenyl]methanol is COc1ccc(N(C)c2ccc(C(O)c3ccc(N(C)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-methoxy-N-methylanilino)phenyl]methanol?
The InChIKey is SWIVYURELUAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-30(25-13-17-27(33-3)18-14-25)23-9-5-21(6-10-23)29(32)22-7-11-24(12-8-22)31(2)26-15-19-28(34-4)20-16-26/h5-20,29,32H,1-4H3.
What are the key properties of bis[4-(4-methoxy-N-methylanilino)phenyl]methanol?
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol has a molecular weight of 454.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-methoxy-N-methylanilino)phenyl]methanol is sourced from PubChem (CID 139653192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).