[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

C32H37NO4 — CID 12017123

IUPAC[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccc(OC)cc3CC2)cc1
InChIInChI=1S/C32H37NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-9,11-15,17,22,32,34H,3-5,10,16,18-21H2,1-2H3
InChIKeyYLRGPEUOAWPUSY-UHFFFAOYSA-N
MW499.65 g/mol
LogP6.16
Rot. Bonds9

About [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 12017123) has the molecular formula C32H37NO4 and a molecular weight of 499.65 g/mol. Its IUPAC name is [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
PubChem CID12017123
Molecular FormulaC32H37NO4
Molecular Weight499.65 g/mol
Exact Mass499.27
IUPAC Name[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccc(OC)cc3CC2)cc1
InChIInChI=1S/C32H37NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-9,11-15,17,22,32,34H,3-5,10,16,18-21H2,1-2H3
InChIKeyYLRGPEUOAWPUSY-UHFFFAOYSA-N
XLogP6.16
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.65
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 18182621
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 142632919
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 23300067
[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 140514001
1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine
CID 70102098
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
CID 67842525

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 12017123) is [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is COc1ccc(C2=C(C(O)c3ccc(OCCN4CCCCC4)cc3)c3ccc(OC)cc3CC2)cc1.
What is the InChIKey of [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The InChIKey is YLRGPEUOAWPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-9,11-15,17,22,32,34H,3-5,10,16,18-21H2,1-2H3.
What are the key properties of [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 499.65 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 12017123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).