1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol

C26H31NO2 — CID 20605088

IUPAC1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol
SMILESCc1ccc(Nc2ccc(CCCCC(O)c3ccc(C)c(CO)c3)cc2)cc1
InChIInChI=1S/C26H31NO2/c1-19-7-13-24(14-8-19)27-25-15-10-21(11-16-25)5-3-4-6-26(29)22-12-9-20(2)23(17-22)18-28/h7-17,26-29H,3-6,18H2,1-2H3
InChIKeySENQMCJWSXDCPR-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.99
Rot. Bonds9

About 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol

1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol (PubChem CID 20605088) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol
PubChem CID20605088
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol
SMILESCc1ccc(Nc2ccc(CCCCC(O)c3ccc(C)c(CO)c3)cc2)cc1
InChIInChI=1S/C26H31NO2/c1-19-7-13-24(14-8-19)27-25-15-10-21(11-16-25)5-3-4-6-26(29)22-12-9-20(2)23(17-22)18-28/h7-17,26-29H,3-6,18H2,1-2H3
InChIKeySENQMCJWSXDCPR-UHFFFAOYSA-N
XLogP5.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,4-dimethylphenyl)-5-[4-(4-methyl-3-phenylanilino)phenyl]pentan-1-ol;methane
CID 159982898
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
N-[5-[1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl]formamide
CID 20605115
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
[5-[(1S)-1-hydroxy-5-[4-(4-methyl-3-phenylanilino)phenyl]pentyl]-2-methylphenyl] methanimidate
CID 59119416
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
7-(4-anilinophenyl)heptan-2-ol
CID 101298242
1,5-bis(4-methylphenyl)pentane-1-sulfonic acid
CID 141399280
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-2-ol
CID 101298266

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol?
The IUPAC name of 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol (CID 20605088) is 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol is Cc1ccc(Nc2ccc(CCCCC(O)c3ccc(C)c(CO)c3)cc2)cc1.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol?
The InChIKey is SENQMCJWSXDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-19-7-13-24(14-8-19)27-25-15-10-21(11-16-25)5-3-4-6-26(29)22-12-9-20(2)23(17-22)18-28/h7-17,26-29H,3-6,18H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol?
1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol has a molecular weight of 389.54 g/mol, XLogP of 5.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol is sourced from PubChem (CID 20605088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).