1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol

C20H26O5 — CID 58480144

IUPAC1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)c(OC)c2)C(C)C)c(OC)c1
InChIInChI=1S/C20H26O5/c1-13(2)20(22,15-7-6-14(12-21)18(10-15)24-4)17-9-8-16(23-3)11-19(17)25-5/h6-11,13,21-22H,12H2,1-5H3
InChIKeyBKTAVERLWDMFAM-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.10
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol

1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol (PubChem CID 58480144) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
PubChem CID58480144
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)c(OC)c2)C(C)C)c(OC)c1
InChIInChI=1S/C20H26O5/c1-13(2)20(22,15-7-6-14(12-21)18(10-15)24-4)17-9-8-16(23-3)11-19(17)25-5/h6-11,13,21-22H,12H2,1-5H3
InChIKeyBKTAVERLWDMFAM-UHFFFAOYSA-N
XLogP3.10
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
CID 58480139
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
1-[2-(hydroxymethyl)-5-methoxyphenoxy]-2-phenylpropan-2-ol
CID 62374358
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol (CID 58480144) is 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol is COc1ccc(C(O)(c2ccc(CO)c(OC)c2)C(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is BKTAVERLWDMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-13(2)20(22,15-7-6-14(12-21)18(10-15)24-4)17-9-8-16(23-3)11-19(17)25-5/h6-11,13,21-22H,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol?
1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 346.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 58480144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).