1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol

C15H14O2 — CID 57292646

IUPAC1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
SMILESOc1cccc(C2(O)CCc3ccccc32)c1
InChIInChI=1S/C15H14O2/c16-13-6-3-5-12(10-13)15(17)9-8-11-4-1-2-7-14(11)15/h1-7,10,16-17H,8-9H2
InChIKeyNCPIOIDAJMRPAT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.57
Rot. Bonds1

About 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol

1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol (PubChem CID 57292646) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
PubChem CID57292646
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
SMILESOc1cccc(C2(O)CCc3ccccc32)c1
InChIInChI=1S/C15H14O2/c16-13-6-3-5-12(10-13)15(17)9-8-11-4-1-2-7-14(11)15/h1-7,10,16-17H,8-9H2
InChIKeyNCPIOIDAJMRPAT-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol (CID 57292646) is 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol is Oc1cccc(C2(O)CCc3ccccc32)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is NCPIOIDAJMRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-13-6-3-5-12(10-13)15(17)9-8-11-4-1-2-7-14(11)15/h1-7,10,16-17H,8-9H2.
What are the key properties of 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol?
1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 57292646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).