1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C18H21NO — CID 114337768

IUPAC1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc(CN2CCC(O)c3ccccc32)cc1C
InChIInChI=1S/C18H21NO/c1-13-7-8-15(11-14(13)2)12-19-10-9-18(20)16-5-3-4-6-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyPFWVXMFLVHADJQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.75
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337768) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337768
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1ccc(CN2CCC(O)c3ccccc32)cc1C
InChIInChI=1S/C18H21NO/c1-13-7-8-15(11-14(13)2)12-19-10-9-18(20)16-5-3-4-6-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyPFWVXMFLVHADJQ-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 114337768) is 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is Cc1ccc(CN2CCC(O)c3ccccc32)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is PFWVXMFLVHADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-8-15(11-14(13)2)12-19-10-9-18(20)16-5-3-4-6-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 267.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).