phenylmethanol;hydrate

C7H10O2 — CID 68812705

IUPACphenylmethanol;hydrate
SMILESO.OCc1ccccc1
InChIInChI=1S/C7H8O.H2O/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H2
InChIKeyUTZNELIJGYWMKS-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.35
Rot. Bonds1

About phenylmethanol;hydrate

phenylmethanol;hydrate (PubChem CID 68812705) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is phenylmethanol;hydrate.

Molecular Properties

Compound Namephenylmethanol;hydrate
PubChem CID68812705
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namephenylmethanol;hydrate
SMILESO.OCc1ccccc1
InChIInChI=1S/C7H8O.H2O/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H2
InChIKeyUTZNELIJGYWMKS-UHFFFAOYSA-N
XLogP0.35
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88632851
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disodium;hydride;phenylmethanol
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sodium;phenylmethanol;hydroxide
CID 67303637
phenylmethanol;phosphane;trihydrobromide
CID 174749424
azane;phenylmethanol;hydrochloride
CID 173141367
molecular hydrogen;phenylmethanol
CID 158888584
azanium;phenylmethanol;hydroxide
CID 70634097
azane;ethanol;phenylmethanol;hydrate
CID 173440514

Frequently Asked Questions

What is the IUPAC name of phenylmethanol;hydrate?
The IUPAC name of phenylmethanol;hydrate (CID 68812705) is phenylmethanol;hydrate.
What is the SMILES notation for phenylmethanol;hydrate?
The canonical SMILES for phenylmethanol;hydrate is O.OCc1ccccc1.
What is the InChIKey of phenylmethanol;hydrate?
The InChIKey is UTZNELIJGYWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.H2O/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H2.
What are the key properties of phenylmethanol;hydrate?
phenylmethanol;hydrate has a molecular weight of 126.15 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;hydrate is sourced from PubChem (CID 68812705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).