[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

C38H39NO4 — CID 140514001

IUPAC[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3OCc3ccccc3)ccc2c1
InChIInChI=1S/C38H39NO4/c1-41-32-19-21-33-30(26-32)16-20-35(34-12-6-7-13-36(34)43-27-28-10-4-2-5-11-28)37(33)38(40)29-14-17-31(18-15-29)42-25-24-39-22-8-3-9-23-39/h2,4-7,10-21,26,38,40H,3,8-9,22-25,27H2,1H3
InChIKeyKDBHOUYOOPIPGV-UHFFFAOYSA-N
MW573.73 g/mol
LogP8.04
Rot. Bonds11

About [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 140514001) has the molecular formula C38H39NO4 and a molecular weight of 573.73 g/mol. Its IUPAC name is [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
PubChem CID140514001
Molecular FormulaC38H39NO4
Molecular Weight573.73 g/mol
Exact Mass573.29
IUPAC Name[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3OCc3ccccc3)ccc2c1
InChIInChI=1S/C38H39NO4/c1-41-32-19-21-33-30(26-32)16-20-35(34-12-6-7-13-36(34)43-27-28-10-4-2-5-11-28)37(33)38(40)29-14-17-31(18-15-29)42-25-24-39-22-8-3-9-23-39/h2,4-7,10-21,26,38,40H,3,8-9,22-25,27H2,1H3
InChIKeyKDBHOUYOOPIPGV-UHFFFAOYSA-N
XLogP8.04
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.73
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
5-[hydroxy-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-6-(2,4,6-trifluorophenyl)naphthalen-2-ol;hydrochloride
CID 67004190
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015
1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine
CID 18182647
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
CID 12051557

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 140514001) is [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is COc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3OCc3ccccc3)ccc2c1.
What is the InChIKey of [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The InChIKey is KDBHOUYOOPIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NO4/c1-41-32-19-21-33-30(26-32)16-20-35(34-12-6-7-13-36(34)43-27-28-10-4-2-5-11-28)37(33)38(40)29-14-17-31(18-15-29)42-25-24-39-22-8-3-9-23-39/h2,4-7,10-21,26,38,40H,3,8-9,22-25,27H2,1H3.
What are the key properties of [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 573.73 g/mol, XLogP of 8.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 140514001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).