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

C32H36ClNO4 — CID 18182621

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

[2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 18182621) has the molecular formula C32H36ClNO4 and a molecular weight of 534.10 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

• Compound Name: [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
• PubChem CID: 18182621
• Molecular Formula: C32H36ClNO4
• Molecular Weight: 534.10 g/mol
• Exact Mass: 533.23
• IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
• SMILES: COc1ccc2c(c1)CCC(c1ccc(OC)c(Cl)c1)=C2C(O)c1ccc(OCCN2CCCCC2)cc1
• InChI: InChI=1S/C32H36ClNO4/c1-36-26-12-14-28-23(20-26)8-13-27(24-9-15-30(37-2)29(33)21-24)31(28)32(35)22-6-10-25(11-7-22)38-19-18-34-16-4-3-5-17-34/h6-7,9-12,14-15,20-21,32,35H,3-5,8,13,16-19H2,1-2H3
• InChIKey: WSFNZLKXSBZEQR-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 51.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.10
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?

The IUPAC name of [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 18182621) is [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.

What is the SMILES notation for [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?

The canonical SMILES for [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is COc1ccc2c(c1)CCC(c1ccc(OC)c(Cl)c1)=C2C(O)c1ccc(OCCN2CCCCC2)cc1.

What is the InChIKey of [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?

The InChIKey is WSFNZLKXSBZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClNO4/c1-36-26-12-14-28-23(20-26)8-13-27(24-9-15-30(37-2)29(33)21-24)31(28)32(35)22-6-10-25(11-7-22)38-19-18-34-16-4-3-5-17-34/h6-7,9-12,14-15,20-21,32,35H,3-5,8,13,16-19H2,1-2H3.

What are the key properties of [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?

[2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 534.10 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 18182621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).