2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol

C21H20O3 — CID 145389555

IUPAC2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(C)c2)ccc1O
InChIInChI=1S/C21H20O3/c1-15-12-17(18-8-10-19(22)21(13-18)23-2)9-11-20(15)24-14-16-6-4-3-5-7-16/h3-13,22H,14H2,1-2H3
InChIKeyFODWSMZCKPJEHK-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.96
Rot. Bonds5

About 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol

2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol (PubChem CID 145389555) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
PubChem CID145389555
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(OCc3ccccc3)c(C)c2)ccc1O
InChIInChI=1S/C21H20O3/c1-15-12-17(18-8-10-19(22)21(13-18)23-2)9-11-20(15)24-14-16-6-4-3-5-7-16/h3-13,22H,14H2,1-2H3
InChIKeyFODWSMZCKPJEHK-UHFFFAOYSA-N
XLogP4.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
5-phenyl-2-phenylmethoxyphenol
CID 11994792
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
CID 135026155
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
3-methoxy-4-phenylmethoxyaniline
CID 27226

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol?
The IUPAC name of 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol (CID 145389555) is 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol?
The canonical SMILES for 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol is COc1cc(-c2ccc(OCc3ccccc3)c(C)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol?
The InChIKey is FODWSMZCKPJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-15-12-17(18-8-10-19(22)21(13-18)23-2)9-11-20(15)24-14-16-6-4-3-5-7-16/h3-13,22H,14H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol?
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol has a molecular weight of 320.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol is sourced from PubChem (CID 145389555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).