molecular hydrogen;phenylmethanol

C7H10O — CID 158888584

IUPACmolecular hydrogen;phenylmethanol
SMILESOCc1ccccc1.[H][H]
InChIInChI=1S/C7H8O.H2/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H
InChIKeyJDXYKMVKWDNMGS-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.42
Rot. Bonds1

About molecular hydrogen;phenylmethanol

molecular hydrogen;phenylmethanol (PubChem CID 158888584) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is molecular hydrogen;phenylmethanol.

Molecular Properties

Compound Namemolecular hydrogen;phenylmethanol
PubChem CID158888584
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namemolecular hydrogen;phenylmethanol
SMILESOCc1ccccc1.[H][H]
InChIInChI=1S/C7H8O.H2/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H
InChIKeyJDXYKMVKWDNMGS-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
methanol;phenylmethanol
CID 19822462
phenylmethanol;titanium;dihydrochloride
CID 88632851
ethane-1,2-diol;phenylmethanol
CID 69228462
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637
phenylmethanol;phosphane;trihydrobromide
CID 174749424
azane;phenylmethanol;hydrochloride
CID 173141367
azanium;phenylmethanol;hydroxide
CID 70634097
phenylmethanol;tetrabromomethane
CID 174808232

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;phenylmethanol?
The IUPAC name of molecular hydrogen;phenylmethanol (CID 158888584) is molecular hydrogen;phenylmethanol.
What is the SMILES notation for molecular hydrogen;phenylmethanol?
The canonical SMILES for molecular hydrogen;phenylmethanol is OCc1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;phenylmethanol?
The InChIKey is JDXYKMVKWDNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.H2/c8-6-7-4-2-1-3-5-7;/h1-5,8H,6H2;1H.
What are the key properties of molecular hydrogen;phenylmethanol?
molecular hydrogen;phenylmethanol has a molecular weight of 110.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;phenylmethanol is sourced from PubChem (CID 158888584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).