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

C15H17NO2 — CID 68897959

IUPAC4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2cccc(N)c2)c(O)cc1O
InChIInChI=1S/C15H17NO2/c1-9(2)12-7-13(15(18)8-14(12)17)10-4-3-5-11(16)6-10/h3-9,17-18H,16H2,1-2H3
InChIKeyPXNCIHNRNFWDDV-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.47
Rot. Bonds2

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

4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol (PubChem CID 68897959) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol
PubChem CID68897959
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2cccc(N)c2)c(O)cc1O
InChIInChI=1S/C15H17NO2/c1-9(2)12-7-13(15(18)8-14(12)17)10-4-3-5-11(16)6-10/h3-9,17-18H,16H2,1-2H3
InChIKeyPXNCIHNRNFWDDV-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol (CID 68897959) is 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2cccc(N)c2)c(O)cc1O.
What is the InChIKey of 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is PXNCIHNRNFWDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(2)12-7-13(15(18)8-14(12)17)10-4-3-5-11(16)6-10/h3-9,17-18H,16H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol?
4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 243.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 68897959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).