[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol

C10H14O4 — CID 154087943

IUPAC[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1c(CO)cc(CO)cc1CO
InChIInChI=1S/C10H14O4/c1-14-10-8(5-12)2-7(4-11)3-9(10)6-13/h2-3,11-13H,4-6H2,1H3
InChIKeyRKOXVEQYAZVAHY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.17
Rot. Bonds4

About [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol

[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol (PubChem CID 154087943) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
PubChem CID154087943
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1c(CO)cc(CO)cc1CO
InChIInChI=1S/C10H14O4/c1-14-10-8(5-12)2-7(4-11)3-9(10)6-13/h2-3,11-13H,4-6H2,1H3
InChIKeyRKOXVEQYAZVAHY-UHFFFAOYSA-N
XLogP0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-3,5-bis[(4-methoxyphenyl)methyl]phenyl]methanol
CID 73213834
[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
CID 71104274
[5-[2-[chloro(methyl)amino]ethyl]-3-(hydroxymethyl)-2-methoxyphenyl]methanol
CID 89149840
[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
CID 11847802
(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
(3-amino-5-bromo-4-methoxyphenyl)methanol
CID 117100520
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
CID 139983063

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol (CID 154087943) is [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol is COc1c(CO)cc(CO)cc1CO.
What is the InChIKey of [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol?
The InChIKey is RKOXVEQYAZVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-14-10-8(5-12)2-7(4-11)3-9(10)6-13/h2-3,11-13H,4-6H2,1H3.
What are the key properties of [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol?
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol has a molecular weight of 198.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 154087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).