(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol

C16H18O4 — CID 53441132

IUPAC(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
SMILESCOc1cc(CO)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C16H18O4/c1-18-15-8-13(10-17)14(9-16(15)19-2)20-11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3
InChIKeyHEQYOBNRUFXZPG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.78
Rot. Bonds6

About (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol

(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol (PubChem CID 53441132) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
PubChem CID53441132
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
SMILESCOc1cc(CO)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C16H18O4/c1-18-15-8-13(10-17)14(9-16(15)19-2)20-11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3
InChIKeyHEQYOBNRUFXZPG-UHFFFAOYSA-N
XLogP2.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
CID 10948495
3-methoxy-4-phenylmethoxyaniline
CID 27226
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol?
The IUPAC name of (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol (CID 53441132) is (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol is COc1cc(CO)c(OCc2ccccc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol?
The InChIKey is HEQYOBNRUFXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-15-8-13(10-17)14(9-16(15)19-2)20-11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3.
What are the key properties of (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol?
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol has a molecular weight of 274.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 53441132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).