2,3-bis(3-methylphenoxy)phenol

C20H18O3 — CID 139940679

IUPAC2,3-bis(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2cccc(O)c2Oc2cccc(C)c2)c1
InChIInChI=1S/C20H18O3/c1-14-6-3-8-16(12-14)22-19-11-5-10-18(21)20(19)23-17-9-4-7-15(2)13-17/h3-13,21H,1-2H3
InChIKeyMHJJVNXFFZJUFI-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.59
Rot. Bonds4

About 2,3-bis(3-methylphenoxy)phenol

2,3-bis(3-methylphenoxy)phenol (PubChem CID 139940679) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2,3-bis(3-methylphenoxy)phenol.

Molecular Properties

Compound Name2,3-bis(3-methylphenoxy)phenol
PubChem CID139940679
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2,3-bis(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2cccc(O)c2Oc2cccc(C)c2)c1
InChIInChI=1S/C20H18O3/c1-14-6-3-8-16(12-14)22-19-11-5-10-18(21)20(19)23-17-9-4-7-15(2)13-17/h3-13,21H,1-2H3
InChIKeyMHJJVNXFFZJUFI-UHFFFAOYSA-N
XLogP5.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2-(3-methylphenoxy)phenol
CID 22051950
2,4-bis(3-methylphenoxy)phenol
CID 139941781
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
1,2,4-trimethyl-3-(3-methylphenoxy)benzene
CID 19792389
[2-fluoro-6-(3-methylphenoxy)phenyl]methanol
CID 114065347
2-(3-methylphenoxy)benzamide
CID 70968841
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
4-(3-methylphenoxy)quinoline
CID 12798303
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-methylphenoxy)phenol?
The IUPAC name of 2,3-bis(3-methylphenoxy)phenol (CID 139940679) is 2,3-bis(3-methylphenoxy)phenol.
What is the SMILES notation for 2,3-bis(3-methylphenoxy)phenol?
The canonical SMILES for 2,3-bis(3-methylphenoxy)phenol is Cc1cccc(Oc2cccc(O)c2Oc2cccc(C)c2)c1.
What is the InChIKey of 2,3-bis(3-methylphenoxy)phenol?
The InChIKey is MHJJVNXFFZJUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-14-6-3-8-16(12-14)22-19-11-5-10-18(21)20(19)23-17-9-4-7-15(2)13-17/h3-13,21H,1-2H3.
What are the key properties of 2,3-bis(3-methylphenoxy)phenol?
2,3-bis(3-methylphenoxy)phenol has a molecular weight of 306.36 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-methylphenoxy)phenol is sourced from PubChem (CID 139940679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).