6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol

C34H40N2O5 — CID 151344339

IUPAC6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol
SMILESCOc1ccc(N(c2ccc(OC)cc2)C(CCCC(C)O)N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H40N2O5/c1-25(37)7-6-8-34(35(26-9-17-30(38-2)18-10-26)27-11-19-31(39-3)20-12-27)36(28-13-21-32(40-4)22-14-28)29-15-23-33(41-5)24-16-29/h9-25,34,37H,6-8H2,1-5H3
InChIKeyOLDGMXJBOUIZAR-UHFFFAOYSA-N
MW556.70 g/mol
LogP7.57
Rot. Bonds14

About 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol

6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol (PubChem CID 151344339) has the molecular formula C34H40N2O5 and a molecular weight of 556.70 g/mol. Its IUPAC name is 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol.

Molecular Properties

Compound Name6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol
PubChem CID151344339
Molecular FormulaC34H40N2O5
Molecular Weight556.70 g/mol
Exact Mass556.29
IUPAC Name6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol
SMILESCOc1ccc(N(c2ccc(OC)cc2)C(CCCC(C)O)N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H40N2O5/c1-25(37)7-6-8-34(35(26-9-17-30(38-2)18-10-26)27-11-19-31(39-3)20-12-27)36(28-13-21-32(40-4)22-14-28)29-15-23-33(41-5)24-16-29/h9-25,34,37H,6-8H2,1-5H3
InChIKeyOLDGMXJBOUIZAR-UHFFFAOYSA-N
XLogP7.57
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
CID 70271768
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
CID 175713586
CID 175713586
sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate
CID 101457626
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol?
The IUPAC name of 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol (CID 151344339) is 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol.
What is the SMILES notation for 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol?
The canonical SMILES for 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol is COc1ccc(N(c2ccc(OC)cc2)C(CCCC(C)O)N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol?
The InChIKey is OLDGMXJBOUIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O5/c1-25(37)7-6-8-34(35(26-9-17-30(38-2)18-10-26)27-11-19-31(39-3)20-12-27)36(28-13-21-32(40-4)22-14-28)29-15-23-33(41-5)24-16-29/h9-25,34,37H,6-8H2,1-5H3.
What are the key properties of 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol?
6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol has a molecular weight of 556.70 g/mol, XLogP of 7.57, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol is sourced from PubChem (CID 151344339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).