4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol

C17H20O2 — CID 146343347

IUPAC4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(CCc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-10-14(16(18)11-17(15)19)9-8-13-6-4-3-5-7-13/h3-7,10-12,18-19H,8-9H2,1-2H3
InChIKeyGYZSHUSJWRLEHN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.01
Rot. Bonds4

About 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol

4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol (PubChem CID 146343347) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol
PubChem CID146343347
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(CCc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-10-14(16(18)11-17(15)19)9-8-13-6-4-3-5-7-13/h3-7,10-12,18-19H,8-9H2,1-2H3
InChIKeyGYZSHUSJWRLEHN-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol (CID 146343347) is 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(CCc2ccccc2)c(O)cc1O.
What is the InChIKey of 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is GYZSHUSJWRLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)15-10-14(16(18)11-17(15)19)9-8-13-6-4-3-5-7-13/h3-7,10-12,18-19H,8-9H2,1-2H3.
What are the key properties of 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol?
4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 256.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 146343347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).