(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol

C12H16O — CID 11367306

IUPAC(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol
SMILESCc1ccc2c(c1)CC(C)(CO)C2
InChIInChI=1S/C12H16O/c1-9-3-4-10-6-12(2,8-13)7-11(10)5-9/h3-5,13H,6-8H2,1-2H3
InChIKeyUWSPWQQZFOSTHS-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds1

About (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol

(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol (PubChem CID 11367306) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol
PubChem CID11367306
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol
SMILESCc1ccc2c(c1)CC(C)(CO)C2
InChIInChI=1S/C12H16O/c1-9-3-4-10-6-12(2,8-13)7-11(10)5-9/h3-5,13H,6-8H2,1-2H3
InChIKeyUWSPWQQZFOSTHS-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol?
The IUPAC name of (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol (CID 11367306) is (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol?
The canonical SMILES for (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol is Cc1ccc2c(c1)CC(C)(CO)C2.
What is the InChIKey of (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol?
The InChIKey is UWSPWQQZFOSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-3-4-10-6-12(2,8-13)7-11(10)5-9/h3-5,13H,6-8H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol?
(2,5-dimethyl-1,3-dihydroinden-2-yl)methanol has a molecular weight of 176.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol is sourced from PubChem (CID 11367306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).