[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol

C23H27NO2 — CID 71218483

IUPAC[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol
SMILESOCc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C23H27NO2/c25-17-18-6-11-23-20(16-18)4-3-5-22(23)19-7-9-21(10-8-19)26-15-14-24-12-1-2-13-24/h5-11,16,25H,1-4,12-15,17H2
InChIKeyZJNSMDOLZQZLCE-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.03
Rot. Bonds6

About [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol

[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol (PubChem CID 71218483) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol
PubChem CID71218483
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol
SMILESOCc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C23H27NO2/c25-17-18-6-11-23-20(16-18)4-3-5-22(23)19-7-9-21(10-8-19)26-15-14-24-12-1-2-13-24/h5-11,16,25H,1-4,12-15,17H2
InChIKeyZJNSMDOLZQZLCE-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 142632919
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethanol;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;methane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
CID 159928344
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
CID 10990902
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
CID 67842525
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenol
CID 70091941
1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
CID 157438458

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol?
The IUPAC name of [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol (CID 71218483) is [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol.
What is the SMILES notation for [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol?
The canonical SMILES for [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol is OCc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol?
The InChIKey is ZJNSMDOLZQZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-17-18-6-11-23-20(16-18)4-3-5-22(23)19-7-9-21(10-8-19)26-15-14-24-12-1-2-13-24/h5-11,16,25H,1-4,12-15,17H2.
What are the key properties of [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol?
[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol has a molecular weight of 349.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol is sourced from PubChem (CID 71218483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).