(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol

C19H17NO — CID 79972222

IUPAC(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1cccc(C2CC2)c1)c1cccc2cnccc12
InChIInChI=1S/C19H17NO/c21-19(15-4-1-3-14(11-15)13-7-8-13)18-6-2-5-16-12-20-10-9-17(16)18/h1-6,9-13,19,21H,7-8H2
InChIKeyHDPRWDJEALFMNT-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.19
Rot. Bonds3

About (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol

(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 79972222) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
PubChem CID79972222
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1cccc(C2CC2)c1)c1cccc2cnccc12
InChIInChI=1S/C19H17NO/c21-19(15-4-1-3-14(11-15)13-7-8-13)18-6-2-5-16-12-20-10-9-17(16)18/h1-6,9-13,19,21H,7-8H2
InChIKeyHDPRWDJEALFMNT-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol (CID 79972222) is (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol is OC(c1cccc(C2CC2)c1)c1cccc2cnccc12.
What is the InChIKey of (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is HDPRWDJEALFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(15-4-1-3-14(11-15)13-7-8-13)18-6-2-5-16-12-20-10-9-17(16)18/h1-6,9-13,19,21H,7-8H2.
What are the key properties of (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol?
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol has a molecular weight of 275.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 79972222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).