4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol

C23H26O3 — CID 70451257

IUPAC4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
SMILESCc1cc(C(C2=CC=C(O)CC2)c2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C23H26O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2/h5,7,9-12,23-26H,6,8H2,1-4H3
InChIKeyRITLIDXNUOERNX-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.63
Rot. Bonds3

About 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol

4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol (PubChem CID 70451257) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
PubChem CID70451257
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
SMILESCc1cc(C(C2=CC=C(O)CC2)c2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C23H26O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2/h5,7,9-12,23-26H,6,8H2,1-4H3
InChIKeyRITLIDXNUOERNX-UHFFFAOYSA-N
XLogP5.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
CID 22571327
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
2-amino-5-methylbenzene-1,4-diol
CID 14549398
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911
benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The IUPAC name of 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol (CID 70451257) is 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol is Cc1cc(C(C2=CC=C(O)CC2)c2cc(C)c(O)cc2C)c(C)cc1O.
What is the InChIKey of 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
The InChIKey is RITLIDXNUOERNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-13-11-21(25)15(3)9-19(13)23(17-5-7-18(24)8-6-17)20-10-16(4)22(26)12-14(20)2/h5,7,9-12,23-26H,6,8H2,1-4H3.
What are the key properties of 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol?
4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol has a molecular weight of 350.46 g/mol, XLogP of 5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexa-1,3-dien-1-yl)-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol is sourced from PubChem (CID 70451257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).