2,4-bis(3-methylphenoxy)phenol

C20H18O3 — CID 139941781

IUPAC2,4-bis(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2ccc(O)c(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H18O3/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13,21H,1-2H3
InChIKeyQFSWYPYWIKMXFW-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.59
Rot. Bonds4

About 2,4-bis(3-methylphenoxy)phenol

2,4-bis(3-methylphenoxy)phenol (PubChem CID 139941781) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2,4-bis(3-methylphenoxy)phenol.

Molecular Properties

Compound Name2,4-bis(3-methylphenoxy)phenol
PubChem CID139941781
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2,4-bis(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2ccc(O)c(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H18O3/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13,21H,1-2H3
InChIKeyQFSWYPYWIKMXFW-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

2-(3-methylphenoxy)phenol
CID 22051950
2,3-bis(3-methylphenoxy)phenol
CID 139940679
2,4-bis(3-methylphenoxy)aniline
CID 34173748
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518
6,15,25,34-tetrakis(3-methylphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28(38),29,31(36),32,34-icosaene
CID 22894627
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylphenoxy)phenol?
The IUPAC name of 2,4-bis(3-methylphenoxy)phenol (CID 139941781) is 2,4-bis(3-methylphenoxy)phenol.
What is the SMILES notation for 2,4-bis(3-methylphenoxy)phenol?
The canonical SMILES for 2,4-bis(3-methylphenoxy)phenol is Cc1cccc(Oc2ccc(O)c(Oc3cccc(C)c3)c2)c1.
What is the InChIKey of 2,4-bis(3-methylphenoxy)phenol?
The InChIKey is QFSWYPYWIKMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-14-5-3-7-16(11-14)22-18-9-10-19(21)20(13-18)23-17-8-4-6-15(2)12-17/h3-13,21H,1-2H3.
What are the key properties of 2,4-bis(3-methylphenoxy)phenol?
2,4-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 2,4-bis(3-methylphenoxy)phenol is sourced from PubChem (CID 139941781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).