(4-hydroxyphenyl)methyl hydrogen carbonate

C8H8O4 — CID 19956654

IUPAC(4-hydroxyphenyl)methyl hydrogen carbonate
SMILESO=C(O)OCc1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyGGMMKJQPXQNAJU-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.59
Rot. Bonds2

About (4-hydroxyphenyl)methyl hydrogen carbonate

(4-hydroxyphenyl)methyl hydrogen carbonate (PubChem CID 19956654) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl hydrogen carbonate
PubChem CID19956654
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(4-hydroxyphenyl)methyl hydrogen carbonate
SMILESO=C(O)OCc1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyGGMMKJQPXQNAJU-UHFFFAOYSA-N
XLogP1.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
CID 174906307
CID 174906307
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
[4-(carbonochloridoyloxymethyl)phenyl]methyl carbonochloridate
CID 19028303
benzene-1,4-diol;carbamic acid
CID 158152403
[4-[[4-(carboxyoxymethyl)phenyl]disulfanyl]phenyl]methyl prop-2-enoate
CID 90058033
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl hydrogen carbonate?
The IUPAC name of (4-hydroxyphenyl)methyl hydrogen carbonate (CID 19956654) is (4-hydroxyphenyl)methyl hydrogen carbonate.
What is the SMILES notation for (4-hydroxyphenyl)methyl hydrogen carbonate?
The canonical SMILES for (4-hydroxyphenyl)methyl hydrogen carbonate is O=C(O)OCc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)methyl hydrogen carbonate?
The InChIKey is GGMMKJQPXQNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,9H,5H2,(H,10,11).
What are the key properties of (4-hydroxyphenyl)methyl hydrogen carbonate?
(4-hydroxyphenyl)methyl hydrogen carbonate has a molecular weight of 168.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl hydrogen carbonate is sourced from PubChem (CID 19956654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).