4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol

C19H23NO — CID 90671950

IUPAC4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
SMILESCCCN1CCc2ccccc2C1Cc1ccc(O)cc1
InChIInChI=1S/C19H23NO/c1-2-12-20-13-11-16-5-3-4-6-18(16)19(20)14-15-7-9-17(21)10-8-15/h3-10,19,21H,2,11-14H2,1H3
InChIKeyYKYRFLVGUOEVLW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds4

About 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol

4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol (PubChem CID 90671950) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
PubChem CID90671950
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
SMILESCCCN1CCc2ccccc2C1Cc1ccc(O)cc1
InChIInChI=1S/C19H23NO/c1-2-12-20-13-11-16-5-3-4-6-18(16)19(20)14-15-7-9-17(21)10-8-15/h3-10,19,21H,2,11-14H2,1H3
InChIKeyYKYRFLVGUOEVLW-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The IUPAC name of 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol (CID 90671950) is 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol is CCCN1CCc2ccccc2C1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
The InChIKey is YKYRFLVGUOEVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-12-20-13-11-16-5-3-4-6-18(16)19(20)14-15-7-9-17(21)10-8-15/h3-10,19,21H,2,11-14H2,1H3.
What are the key properties of 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol?
4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol is sourced from PubChem (CID 90671950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).