2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)

C49H72O4 — CID 91039057

IUPAC2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)
SMILESCC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cc1ccc(O)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C15H16O2.2C10H20.2C7H8O/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;2*1-8(2)10-6-4-9(3)5-7-10;2*1-6-2-4-7(8)5-3-6/h3-8,16-17H,9H2,1-2H3;2*8-10H,4-7H2,1-3H3;2*2-5,8H,1H3
InChIKeySLOOMHADQINZOC-UHFFFAOYSA-N
MW725.11 g/mol
LogP13.64
Rot. Bonds4

About 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane) (PubChem CID 91039057) has the molecular formula C49H72O4 and a molecular weight of 725.11 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane).

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)
PubChem CID91039057
Molecular FormulaC49H72O4
Molecular Weight725.11 g/mol
Exact Mass724.54
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)
SMILESCC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cc1ccc(O)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C15H16O2.2C10H20.2C7H8O/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;2*1-8(2)10-6-4-9(3)5-7-10;2*1-6-2-4-7(8)5-3-6/h3-8,16-17H,9H2,1-2H3;2*8-10H,4-7H2,1-3H3;2*2-5,8H,1H3
InChIKeySLOOMHADQINZOC-UHFFFAOYSA-N
XLogP13.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.11
LogP ≤ 513.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
CID 6928
2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
CID 8398
1,1'-Methylenebis(2-naphthalenol)
CID 14187
2,4-Dicumylphenol
CID 76013
2,2'-Methylenebis(6-(1-methylcyclohexyl)-p-cresol)
CID 6486
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CID 92905
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
CID 21943953
2,6-Bis((2-hydroxy-5-methylphenyl)methyl)-4-methylphenol
CID 74181
2,2'-Ethylidenebis(4,6-di-tert-butylphenol)
CID 118899
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CID 75386

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane) (CID 91039057) is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane).
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane) is CC1CCC(C(C)C)CC1.CC1CCC(C(C)C)CC1.Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)?
The InChIKey is SLOOMHADQINZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.2C10H20.2C7H8O/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;2*1-8(2)10-6-4-9(3)5-7-10;2*1-6-2-4-7(8)5-3-6/h3-8,16-17H,9H2,1-2H3;2*8-10H,4-7H2,1-3H3;2*2-5,8H,1H3.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)?
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane) has a molecular weight of 725.11 g/mol, XLogP of 13.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane) is sourced from PubChem (CID 91039057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).