(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate

C20H16O5 — CID 118078754

IUPAC(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
SMILESO=C(O)Oc1ccccc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H10O2.C7H6O3/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;8-7(9)10-6-4-2-1-3-5-6/h1-9,14H;1-5H,(H,8,9)
InChIKeyAJHGLPWPIKQDLT-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.37
Rot. Bonds3

About (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate

(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate (PubChem CID 118078754) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate.

Molecular Properties

Compound Name(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
PubChem CID118078754
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
SMILESO=C(O)Oc1ccccc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H10O2.C7H6O3/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;8-7(9)10-6-4-2-1-3-5-6/h1-9,14H;1-5H,(H,8,9)
InChIKeyAJHGLPWPIKQDLT-UHFFFAOYSA-N
XLogP4.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

phenol;phenyl hydrogen carbonate
CID 23470013
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
diphenylmethanone
CID 3102
(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate?
The IUPAC name of (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate (CID 118078754) is (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate.
What is the SMILES notation for (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate?
The canonical SMILES for (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate is O=C(O)Oc1ccccc1.O=C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate?
The InChIKey is AJHGLPWPIKQDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C7H6O3/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;8-7(9)10-6-4-2-1-3-5-6/h1-9,14H;1-5H,(H,8,9).
What are the key properties of (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate?
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate has a molecular weight of 336.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate is sourced from PubChem (CID 118078754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).