2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol

C21H20O4 — CID 135026155

IUPAC2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
SMILESCOc1cc(-c2ccccc2OCc2ccccc2)cc(O)c1OC
InChIInChI=1S/C21H20O4/c1-23-20-13-16(12-18(22)21(20)24-2)17-10-6-7-11-19(17)25-14-15-8-4-3-5-9-15/h3-13,22H,14H2,1-2H3
InChIKeyPHJCMHYVYYNACC-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.66
Rot. Bonds6

About 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol

2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol (PubChem CID 135026155) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol.

Molecular Properties

Compound Name2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
PubChem CID135026155
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
SMILESCOc1cc(-c2ccccc2OCc2ccccc2)cc(O)c1OC
InChIInChI=1S/C21H20O4/c1-23-20-13-16(12-18(22)21(20)24-2)17-10-6-7-11-19(17)25-14-15-8-4-3-5-9-15/h3-13,22H,14H2,1-2H3
InChIKeyPHJCMHYVYYNACC-UHFFFAOYSA-N
XLogP4.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5-phenylphenol
CID 135042969
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile
CID 53220231
5-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylic acid
CID 127038043
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol?
The IUPAC name of 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol (CID 135026155) is 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol.
What is the SMILES notation for 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol?
The canonical SMILES for 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol is COc1cc(-c2ccccc2OCc2ccccc2)cc(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol?
The InChIKey is PHJCMHYVYYNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-23-20-13-16(12-18(22)21(20)24-2)17-10-6-7-11-19(17)25-14-15-8-4-3-5-9-15/h3-13,22H,14H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol?
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol has a molecular weight of 336.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol is sourced from PubChem (CID 135026155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).