(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol

C17H17NO — CID 102020468

IUPAC(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C17H17NO/c1-11(2)17(19)16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,17,19H,1-2H3/t17-/m0/s1
InChIKeyGYAOXRMJDZDIMG-KRWDZBQOSA-N
MW251.33 g/mol
LogP4.08
Rot. Bonds2

About (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol

(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol (PubChem CID 102020468) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol
PubChem CID102020468
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C17H17NO/c1-11(2)17(19)16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,17,19H,1-2H3/t17-/m0/s1
InChIKeyGYAOXRMJDZDIMG-KRWDZBQOSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[2-[(1S)-1-hydroxy-2-methylpropyl]quinazolin-4-yl]quinazolin-2-yl]-2-methylpropan-1-ol
CID 45257862
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
2-methyl-1-[1-(methylamino)naphthalen-2-yl]propan-1-ol
CID 15049302
2-amino-1-quinolin-2-ylbutan-1-ol
CID 64955097
(1S)-1-[6-[6-[(1S)-1-hydroxy-2-methylpropyl]-2-pyridinyl]-2-pyridinyl]-2-methylpropan-1-ol
CID 102577274
acetic acid;chrysene
CID 175201446
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
benzo[f]quinoline-3-carbaldehyde
CID 102020467
4-[(E)-2-benzo[f]quinolin-3-ylethenyl]phenol
CID 137229184
4-(2-benzo[f]quinolin-3-ylethenyl)phenol
CID 137229369
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761

Frequently Asked Questions

What is the IUPAC name of (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol (CID 102020468) is (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol is CC(C)[C@H](O)c1ccc2c(ccc3ccccc32)n1.
What is the InChIKey of (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol?
The InChIKey is GYAOXRMJDZDIMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO/c1-11(2)17(19)16-10-8-14-13-6-4-3-5-12(13)7-9-15(14)18-16/h3-11,17,19H,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol?
(1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-benzo[f]quinolin-3-yl-2-methylpropan-1-ol is sourced from PubChem (CID 102020468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).