4-methylphenol;hydrate

C7H10O2 — CID 71777661

IUPAC4-methylphenol;hydrate
SMILESCc1ccc(O)cc1.O
InChIInChI=1S/C7H8O.H2O/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;1H2
InChIKeyZDBPCZHKDJAVSB-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.88
Rot. Bonds

About 4-methylphenol;hydrate

4-methylphenol;hydrate (PubChem CID 71777661) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-methylphenol;hydrate.

Molecular Properties

Compound Name4-methylphenol;hydrate
PubChem CID71777661
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-methylphenol;hydrate
SMILESCc1ccc(O)cc1.O
InChIInChI=1S/C7H8O.H2O/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;1H2
InChIKeyZDBPCZHKDJAVSB-UHFFFAOYSA-N
XLogP0.88
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;hydrate?
The IUPAC name of 4-methylphenol;hydrate (CID 71777661) is 4-methylphenol;hydrate.
What is the SMILES notation for 4-methylphenol;hydrate?
The canonical SMILES for 4-methylphenol;hydrate is Cc1ccc(O)cc1.O.
What is the InChIKey of 4-methylphenol;hydrate?
The InChIKey is ZDBPCZHKDJAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.H2O/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;1H2.
What are the key properties of 4-methylphenol;hydrate?
4-methylphenol;hydrate has a molecular weight of 126.15 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;hydrate is sourced from PubChem (CID 71777661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).