(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol

C12H17NO — CID 101477066

IUPAC(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
SMILESCC(C)N1Cc2cccc(CO)c2C1
InChIInChI=1S/C12H17NO/c1-9(2)13-6-10-4-3-5-11(8-14)12(10)7-13/h3-5,9,14H,6-8H2,1-2H3
InChIKeyVLJYMPRVWGMBIG-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds2

About (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol

(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol (PubChem CID 101477066) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
PubChem CID101477066
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
SMILESCC(C)N1Cc2cccc(CO)c2C1
InChIInChI=1S/C12H17NO/c1-9(2)13-6-10-4-3-5-11(8-14)12(10)7-13/h3-5,9,14H,6-8H2,1-2H3
InChIKeyVLJYMPRVWGMBIG-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol?
The IUPAC name of (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol (CID 101477066) is (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol.
What is the SMILES notation for (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol?
The canonical SMILES for (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol is CC(C)N1Cc2cccc(CO)c2C1.
What is the InChIKey of (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol?
The InChIKey is VLJYMPRVWGMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13-6-10-4-3-5-11(8-14)12(10)7-13/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol?
(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol is sourced from PubChem (CID 101477066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).