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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Related Compounds

4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-[1-[3-[1-(2,4-dihydroxyphenyl)ethyl]phenyl]ethyl]benzene-1,3-diol
CID 148624856
4-[chloro(phenyl)methyl]benzene-1,3-diol
CID 66729340
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
anthracene;bis(4-[1-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol);4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol;ethane;naphthalene
CID 162085625
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
6-(1-phenylethyl)-1,3-benzodioxol-5-ol
CID 13035012
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185

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).