(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol

C13H18O — CID 146230442

IUPAC(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
SMILESCC(C)C1(CO)CCc2ccccc21
InChIInChI=1S/C13H18O/c1-10(2)13(9-14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyILXVGJKICRLNRI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.52
Rot. Bonds2

About (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol

(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol (PubChem CID 146230442) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
PubChem CID146230442
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
SMILESCC(C)C1(CO)CCc2ccccc21
InChIInChI=1S/C13H18O/c1-10(2)13(9-14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyILXVGJKICRLNRI-UHFFFAOYSA-N
XLogP2.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol (CID 146230442) is (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol is CC(C)C1(CO)CCc2ccccc21.
What is the InChIKey of (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol?
The InChIKey is ILXVGJKICRLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13(9-14)8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol?
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol has a molecular weight of 190.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 146230442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).