1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol

C19H22ClNO — CID 82074589

IUPAC1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCN2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C19H22ClNO/c1-14-12-16(6-7-18(14)20)19(22)9-11-21-10-8-15-4-2-3-5-17(15)13-21/h2-7,12,19,22H,8-11,13H2,1H3
InChIKeyNNAACNZYOVTXFU-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol

1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol (PubChem CID 82074589) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol
PubChem CID82074589
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCN2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C19H22ClNO/c1-14-12-16(6-7-18(14)20)19(22)9-11-21-10-8-15-4-2-3-5-17(15)13-21/h2-7,12,19,22H,8-11,13H2,1H3
InChIKeyNNAACNZYOVTXFU-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SB-612111
CID 10047612
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
CID 70685046
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
1-((4-chlorobenzyl)oxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol hydrochloride
CID 2770380
4-(4-Chloro-phenyl)-1-naphthalen-2-ylmethyl-piperidin-4-ol
CID 44339393
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen-2-ylmethyl-piperidin-4-ol
CID 44339463
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-fluoro-benzyl)-piperidin-4-ol
CID 44339500
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(4-trifluoromethyl-benzyl)-piperidin-4-ol
CID 44339525
(1S)-1-(4-chlorophenyl)-2-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]ethanol;hydrochloride
CID 53484050
1-[(4-Chlorophenyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
CID 2770381
1-(6-Chloronaphthalen-1-yl)-2-(dibutylamino)ethan-1-ol
CID 50626
Setazindol
CID 193099

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol (CID 82074589) is 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol is Cc1cc(C(O)CCN2CCc3ccccc3C2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol?
The InChIKey is NNAACNZYOVTXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14-12-16(6-7-18(14)20)19(22)9-11-21-10-8-15-4-2-3-5-17(15)13-21/h2-7,12,19,22H,8-11,13H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol?
1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol has a molecular weight of 315.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-ol is sourced from PubChem (CID 82074589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).