[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol

C24H26O6 — CID 101236139

IUPAC[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
SMILESCOc1cc(COc2ccc(CO)cc2)c(OC)cc1COc1ccc(CO)cc1
InChIInChI=1S/C24H26O6/c1-27-23-11-20(16-30-22-9-5-18(14-26)6-10-22)24(28-2)12-19(23)15-29-21-7-3-17(13-25)4-8-21/h3-12,25-26H,13-16H2,1-2H3
InChIKeyHJFWLJDNRVMBSN-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.85
Rot. Bonds10

About [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol

[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol (PubChem CID 101236139) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
PubChem CID101236139
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
SMILESCOc1cc(COc2ccc(CO)cc2)c(OC)cc1COc1ccc(CO)cc1
InChIInChI=1S/C24H26O6/c1-27-23-11-20(16-30-22-9-5-18(14-26)6-10-22)24(28-2)12-19(23)15-29-21-7-3-17(13-25)4-8-21/h3-12,25-26H,13-16H2,1-2H3
InChIKeyHJFWLJDNRVMBSN-UHFFFAOYSA-N
XLogP3.85
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 62785626
(4-methoxyphenyl)methanol
CID 7738
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
3-methoxy-4-[(4-methylphenoxy)methyl]phenol
CID 117219725
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol (CID 101236139) is [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol is COc1cc(COc2ccc(CO)cc2)c(OC)cc1COc1ccc(CO)cc1.
What is the InChIKey of [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol?
The InChIKey is HJFWLJDNRVMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-27-23-11-20(16-30-22-9-5-18(14-26)6-10-22)24(28-2)12-19(23)15-29-21-7-3-17(13-25)4-8-21/h3-12,25-26H,13-16H2,1-2H3.
What are the key properties of [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol?
[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol has a molecular weight of 410.47 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 101236139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).