(4-hydroxyphenyl)-phenylmethanone

C26H20O4 — CID 139062648

IUPAC(4-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)cc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/2C13H10O2/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9,14H
InChIKeySTJANKPTIVPGNU-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.25
Rot. Bonds4

About (4-hydroxyphenyl)-phenylmethanone

(4-hydroxyphenyl)-phenylmethanone (PubChem CID 139062648) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is (4-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-phenylmethanone
PubChem CID139062648
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name(4-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)cc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/2C13H10O2/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9,14H
InChIKeySTJANKPTIVPGNU-UHFFFAOYSA-N
XLogP5.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
diphenylmethanone
CID 3102
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
benzene-1,4-diol;benzoic acid
CID 67019242
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone;ethane
CID 158014879
butan-1-ol;(4-hydroxyphenyl)-phenylmethanone;titanium
CID 59487979

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (4-hydroxyphenyl)-phenylmethanone (CID 139062648) is (4-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (4-hydroxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(O)cc1.O=C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-phenylmethanone?
The InChIKey is STJANKPTIVPGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10O2/c2*14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h2*1-9,14H.
What are the key properties of (4-hydroxyphenyl)-phenylmethanone?
(4-hydroxyphenyl)-phenylmethanone has a molecular weight of 396.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 139062648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).