7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol

C18H18O3 — CID 102144038

IUPAC7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
SMILESC=CCc1ccc(O)c(-c2ccc(O)c3c2CC(O)C3)c1
InChIInChI=1S/C18H18O3/c1-2-3-11-4-6-17(20)15(8-11)13-5-7-18(21)16-10-12(19)9-14(13)16/h2,4-8,12,19-21H,1,3,9-10H2
InChIKeyGHTPJDZBDJFAKY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds3

About 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol

7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol (PubChem CID 102144038) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol.

Molecular Properties

Compound Name7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
PubChem CID102144038
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
SMILESC=CCc1ccc(O)c(-c2ccc(O)c3c2CC(O)C3)c1
InChIInChI=1S/C18H18O3/c1-2-3-11-4-6-17(20)15(8-11)13-5-7-18(21)16-10-12(19)9-14(13)16/h2,4-8,12,19-21H,1,3,9-10H2
InChIKeyGHTPJDZBDJFAKY-UHFFFAOYSA-N
XLogP2.95
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol?
The IUPAC name of 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol (CID 102144038) is 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol.
What is the SMILES notation for 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol?
The canonical SMILES for 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol is C=CCc1ccc(O)c(-c2ccc(O)c3c2CC(O)C3)c1.
What is the InChIKey of 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol?
The InChIKey is GHTPJDZBDJFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-3-11-4-6-17(20)15(8-11)13-5-7-18(21)16-10-12(19)9-14(13)16/h2,4-8,12,19-21H,1,3,9-10H2.
What are the key properties of 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol?
7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol has a molecular weight of 282.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol is sourced from PubChem (CID 102144038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).