benzene;formaldehyde;phenol;hydrate

C13H16O3 — CID 174789223

IUPACbenzene;formaldehyde;phenol;hydrate
SMILESC=O.O.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.CH2O.H2O/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;/h1-5,7H;1-6H;1H2;1H2
InChIKeyNBVRAEOEFNZBAW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.07
Rot. Bonds

About benzene;formaldehyde;phenol;hydrate

benzene;formaldehyde;phenol;hydrate (PubChem CID 174789223) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is benzene;formaldehyde;phenol;hydrate.

Molecular Properties

Compound Namebenzene;formaldehyde;phenol;hydrate
PubChem CID174789223
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namebenzene;formaldehyde;phenol;hydrate
SMILESC=O.O.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.CH2O.H2O/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;/h1-5,7H;1-6H;1H2;1H2
InChIKeyNBVRAEOEFNZBAW-UHFFFAOYSA-N
XLogP2.07
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174825224
CID 67496590
CID 67496590
phenol;tantalum
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CID 19023057

Frequently Asked Questions

What is the IUPAC name of benzene;formaldehyde;phenol;hydrate?
The IUPAC name of benzene;formaldehyde;phenol;hydrate (CID 174789223) is benzene;formaldehyde;phenol;hydrate.
What is the SMILES notation for benzene;formaldehyde;phenol;hydrate?
The canonical SMILES for benzene;formaldehyde;phenol;hydrate is C=O.O.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;formaldehyde;phenol;hydrate?
The InChIKey is NBVRAEOEFNZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H6.CH2O.H2O/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2;/h1-5,7H;1-6H;1H2;1H2.
What are the key properties of benzene;formaldehyde;phenol;hydrate?
benzene;formaldehyde;phenol;hydrate has a molecular weight of 220.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formaldehyde;phenol;hydrate is sourced from PubChem (CID 174789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).