(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C18H21NO2 — CID 79721633

IUPAC(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCCOc1cccc(C(O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H21NO2/c1-2-21-15-9-3-7-14(12-15)18(20)16-10-4-6-13-8-5-11-19-17(13)16/h3,5,7-9,11-12,16,18,20H,2,4,6,10H2,1H3
InChIKeySJZJEBHAPIZDDW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.63
Rot. Bonds4

About (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79721633) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79721633
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCCOc1cccc(C(O)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H21NO2/c1-2-21-15-9-3-7-14(12-15)18(20)16-10-4-6-13-8-5-11-19-17(13)16/h3,5,7-9,11-12,16,18,20H,2,4,6,10H2,1H3
InChIKeySJZJEBHAPIZDDW-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79721633) is (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is CCOc1cccc(C(O)C2CCCc3cccnc32)c1.
What is the InChIKey of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is SJZJEBHAPIZDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-15-9-3-7-14(12-15)18(20)16-10-4-6-13-8-5-11-19-17(13)16/h3,5,7-9,11-12,16,18,20H,2,4,6,10H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).