4-(2-phenylethyl)benzene-1,3-diol;hydrate

C14H16O3 — CID 174818892

IUPAC4-(2-phenylethyl)benzene-1,3-diol;hydrate
SMILESO.Oc1ccc(CCc2ccccc2)c(O)c1
InChIInChI=1S/C14H14O2.H2O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;/h1-5,8-10,15-16H,6-7H2;1H2
InChIKeyJZNPPLBDBDJTNW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-phenylethyl)benzene-1,3-diol;hydrate

4-(2-phenylethyl)benzene-1,3-diol;hydrate (PubChem CID 174818892) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-phenylethyl)benzene-1,3-diol;hydrate.

Molecular Properties

Compound Name4-(2-phenylethyl)benzene-1,3-diol;hydrate
PubChem CID174818892
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-(2-phenylethyl)benzene-1,3-diol;hydrate
SMILESO.Oc1ccc(CCc2ccccc2)c(O)c1
InChIInChI=1S/C14H14O2.H2O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;/h1-5,8-10,15-16H,6-7H2;1H2
InChIKeyJZNPPLBDBDJTNW-UHFFFAOYSA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethyl)phenol;hydrate
CID 157150935
4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol
CID 174965062
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
CID 24886444
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol
CID 146343347
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)benzene-1,3-diol;hydrate?
The IUPAC name of 4-(2-phenylethyl)benzene-1,3-diol;hydrate (CID 174818892) is 4-(2-phenylethyl)benzene-1,3-diol;hydrate.
What is the SMILES notation for 4-(2-phenylethyl)benzene-1,3-diol;hydrate?
The canonical SMILES for 4-(2-phenylethyl)benzene-1,3-diol;hydrate is O.Oc1ccc(CCc2ccccc2)c(O)c1.
What is the InChIKey of 4-(2-phenylethyl)benzene-1,3-diol;hydrate?
The InChIKey is JZNPPLBDBDJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.H2O/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;/h1-5,8-10,15-16H,6-7H2;1H2.
What are the key properties of 4-(2-phenylethyl)benzene-1,3-diol;hydrate?
4-(2-phenylethyl)benzene-1,3-diol;hydrate has a molecular weight of 232.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)benzene-1,3-diol;hydrate is sourced from PubChem (CID 174818892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).