4-(1-phenylethyl)benzene-1,3-diol

C14H14O2 — CID 11171903

IUPAC4-(1-phenylethyl)benzene-1,3-diol
SMILESCC(c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3
InChIKeyPQSXNIMHIHYFEE-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.25
Rot. Bonds2

About 4-(1-phenylethyl)benzene-1,3-diol

4-(1-phenylethyl)benzene-1,3-diol (PubChem CID 11171903) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(1-phenylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-phenylethyl)benzene-1,3-diol
PubChem CID11171903
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-(1-phenylethyl)benzene-1,3-diol
SMILESCC(c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3
InChIKeyPQSXNIMHIHYFEE-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)benzene-1,3-diol?
The IUPAC name of 4-(1-phenylethyl)benzene-1,3-diol (CID 11171903) is 4-(1-phenylethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-phenylethyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-phenylethyl)benzene-1,3-diol is CC(c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-(1-phenylethyl)benzene-1,3-diol?
The InChIKey is PQSXNIMHIHYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3.
What are the key properties of 4-(1-phenylethyl)benzene-1,3-diol?
4-(1-phenylethyl)benzene-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)benzene-1,3-diol is sourced from PubChem (CID 11171903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).