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

C14H14O2 — CID 15664656

IUPAC4-(2-phenylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2ccccc2)c(O)c1
InChIInChI=1S/C14H14O2/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
InChIKeyANTLBIMVNRRJNP-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.88
Rot. Bonds3

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

4-(2-phenylethyl)benzene-1,3-diol (PubChem CID 15664656) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(2-phenylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-phenylethyl)benzene-1,3-diol
PubChem CID15664656
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-(2-phenylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2ccccc2)c(O)c1
InChIInChI=1S/C14H14O2/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
InChIKeyANTLBIMVNRRJNP-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)benzene-1,3-diol?
The IUPAC name of 4-(2-phenylethyl)benzene-1,3-diol (CID 15664656) is 4-(2-phenylethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-phenylethyl)benzene-1,3-diol?
The canonical SMILES for 4-(2-phenylethyl)benzene-1,3-diol is Oc1ccc(CCc2ccccc2)c(O)c1.
What is the InChIKey of 4-(2-phenylethyl)benzene-1,3-diol?
The InChIKey is ANTLBIMVNRRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/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.
What are the key properties of 4-(2-phenylethyl)benzene-1,3-diol?
4-(2-phenylethyl)benzene-1,3-diol has a molecular weight of 214.26 g/mol, XLogP of 2.88, 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 is sourced from PubChem (CID 15664656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).