benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol

C28H26O6 — CID 174482938

IUPACbenzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1cccc(-c2ccccc2)c1CO
InChIInChI=1S/C14H14O2.2C7H6O2/c15-9-12-7-4-8-13(14(12)10-16)11-5-2-1-3-6-11;2*8-7(9)6-4-2-1-3-5-6/h1-8,15-16H,9-10H2;2*1-5H,(H,8,9)
InChIKeyAPVLGCUXAGUFIH-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.11
Rot. Bonds5

About benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol

benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol (PubChem CID 174482938) has the molecular formula C28H26O6 and a molecular weight of 458.51 g/mol. Its IUPAC name is benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol.

Molecular Properties

Compound Namebenzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
PubChem CID174482938
Molecular FormulaC28H26O6
Molecular Weight458.51 g/mol
Exact Mass458.17
IUPAC Namebenzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1cccc(-c2ccccc2)c1CO
InChIInChI=1S/C14H14O2.2C7H6O2/c15-9-12-7-4-8-13(14(12)10-16)11-5-2-1-3-6-11;2*8-7(9)6-4-2-1-3-5-6/h1-8,15-16H,9-10H2;2*1-5H,(H,8,9)
InChIKeyAPVLGCUXAGUFIH-UHFFFAOYSA-N
XLogP5.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
2-phenacyl-6-phenylbenzoic acid
CID 59608656
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
4-naphthalen-1-ylbenzoic acid
CID 2760151
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
benzoic acid;phenylmethanol
CID 175191007
benzoic acid;2-phenylbenzamide
CID 70205361
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723
benzoic acid;methanamine
CID 158244769
benzoic acid;zirconium
CID 173089080

Frequently Asked Questions

What is the IUPAC name of benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol?
The IUPAC name of benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol (CID 174482938) is benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol.
What is the SMILES notation for benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol?
The canonical SMILES for benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol is O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1cccc(-c2ccccc2)c1CO.
What is the InChIKey of benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol?
The InChIKey is APVLGCUXAGUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.2C7H6O2/c15-9-12-7-4-8-13(14(12)10-16)11-5-2-1-3-6-11;2*8-7(9)6-4-2-1-3-5-6/h1-8,15-16H,9-10H2;2*1-5H,(H,8,9).
What are the key properties of benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol?
benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol has a molecular weight of 458.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;[2-(hydroxymethyl)-3-phenylphenyl]methanol is sourced from PubChem (CID 174482938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).