benzoic acid;phenylmethanol

C21H20O5 — CID 175191007

IUPACbenzoic acid;phenylmethanol
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1
InChIInChI=1S/2C7H6O2.C7H8O/c2*8-7(9)6-4-2-1-3-5-6;8-6-7-4-2-1-3-5-7/h2*1-5H,(H,8,9);1-5,8H,6H2
InChIKeyDJXQAHWNERPZEN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.95
Rot. Bonds3

About benzoic acid;phenylmethanol

benzoic acid;phenylmethanol (PubChem CID 175191007) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzoic acid;phenylmethanol.

Molecular Properties

Compound Namebenzoic acid;phenylmethanol
PubChem CID175191007
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Namebenzoic acid;phenylmethanol
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1
InChIInChI=1S/2C7H6O2.C7H8O/c2*8-7(9)6-4-2-1-3-5-6;8-6-7-4-2-1-3-5-7/h2*1-5H,(H,8,9);1-5,8H,6H2
InChIKeyDJXQAHWNERPZEN-UHFFFAOYSA-N
XLogP3.95
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phenylmethanol;tetrabromomethane
CID 174808232
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
phenylmethanol;zirconium
CID 18688174
benzoic acid;zirconium
CID 173089080
phenylmethanol;tungsten
CID 166544439
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;trihydrate
CID 157398339
benzoic acid;chromium
CID 139063467
phenylmethanol;hydrate
CID 68812705
benzoic acid;λ2-plumbane
CID 174927932
cyclodecapentaenecarboxylic acid;methane
CID 162272407

Frequently Asked Questions

What is the IUPAC name of benzoic acid;phenylmethanol?
The IUPAC name of benzoic acid;phenylmethanol (CID 175191007) is benzoic acid;phenylmethanol.
What is the SMILES notation for benzoic acid;phenylmethanol?
The canonical SMILES for benzoic acid;phenylmethanol is O=C(O)c1ccccc1.O=C(O)c1ccccc1.OCc1ccccc1.
What is the InChIKey of benzoic acid;phenylmethanol?
The InChIKey is DJXQAHWNERPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.C7H8O/c2*8-7(9)6-4-2-1-3-5-6;8-6-7-4-2-1-3-5-7/h2*1-5H,(H,8,9);1-5,8H,6H2.
What are the key properties of benzoic acid;phenylmethanol?
benzoic acid;phenylmethanol has a molecular weight of 352.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;phenylmethanol is sourced from PubChem (CID 175191007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).