4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol

C24H26O3 — CID 150105326

IUPAC4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCCc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1
InChIInChI=1S/C24H26O3/c1-4-17-11-20(13-18-9-15(2)5-7-22(18)25)24(27)21(12-17)14-19-10-16(3)6-8-23(19)26/h5-12,25-27H,4,13-14H2,1-3H3
InChIKeyDWCSKWXZVZSWAL-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.16
Rot. Bonds5

About 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol

4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol (PubChem CID 150105326) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
PubChem CID150105326
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCCc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1
InChIInChI=1S/C24H26O3/c1-4-17-11-20(13-18-9-15(2)5-7-22(18)25)24(27)21(12-17)14-19-10-16(3)6-8-23(19)26/h5-12,25-27H,4,13-14H2,1-3H3
InChIKeyDWCSKWXZVZSWAL-UHFFFAOYSA-N
XLogP5.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
CID 157135640
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
CID 15574255
2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
CID 82978731
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The IUPAC name of 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol (CID 150105326) is 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The canonical SMILES for 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol is CCc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1.
What is the InChIKey of 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The InChIKey is DWCSKWXZVZSWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-4-17-11-20(13-18-9-15(2)5-7-22(18)25)24(27)21(12-17)14-19-10-16(3)6-8-23(19)26/h5-12,25-27H,4,13-14H2,1-3H3.
What are the key properties of 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol has a molecular weight of 362.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol is sourced from PubChem (CID 150105326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).