[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate

C20H18O6 — CID 69145077

IUPAC[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
SMILESCc1oc(OC(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C20H18O6/c1-13-17(10-19(25-13)26-20(22)23)12-24-18-8-6-16(7-9-18)15-4-2-14(11-21)3-5-15/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyZOMWNXBOZGPBIZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.38
Rot. Bonds6

About [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate

[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate (PubChem CID 69145077) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
PubChem CID69145077
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
SMILESCc1oc(OC(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1
InChIInChI=1S/C20H18O6/c1-13-17(10-19(25-13)26-20(22)23)12-24-18-8-6-16(7-9-18)15-4-2-14(11-21)3-5-15/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyZOMWNXBOZGPBIZ-UHFFFAOYSA-N
XLogP4.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate with MolForge

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Related Compounds

5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
CID 71024961
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
ethyl (E)-3-[4-(hydroxymethyl)-5-methylfuran-2-yl]prop-2-enoate;(E)-3-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]prop-2-enoic acid
CID 158084506
N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
CID 58824159
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
CID 101236139
2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
CID 142869564
4-[[4-(4-acetylphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;methyl 4-[(4-iodophenoxy)methyl]-5-methylfuran-2-carboxylate
CID 158364687
3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 172705932
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate?
The IUPAC name of [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate (CID 69145077) is [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate.
What is the SMILES notation for [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate?
The canonical SMILES for [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate is Cc1oc(OC(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate?
The InChIKey is ZOMWNXBOZGPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-13-17(10-19(25-13)26-20(22)23)12-24-18-8-6-16(7-9-18)15-4-2-14(11-21)3-5-15/h2-10,21H,11-12H2,1H3,(H,22,23).
What are the key properties of [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate?
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate has a molecular weight of 354.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate is sourced from PubChem (CID 69145077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).