7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol

C25H28O4 — CID 10739273

IUPAC7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol
SMILESC=C(C)Cc1c(OC(C)C)c(-c2ccc(OC)cc2)c(O)c2cc(OC)ccc12
InChIInChI=1S/C25H28O4/c1-15(2)13-22-20-12-11-19(28-6)14-21(20)24(26)23(25(22)29-16(3)4)17-7-9-18(27-5)10-8-17/h7-12,14,16,26H,1,13H2,2-6H3
InChIKeyAKUUHDNZOUEBBD-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.14
Rot. Bonds7

About 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol

7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol (PubChem CID 10739273) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol.

Molecular Properties

Compound Name7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol
PubChem CID10739273
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol
SMILESC=C(C)Cc1c(OC(C)C)c(-c2ccc(OC)cc2)c(O)c2cc(OC)ccc12
InChIInChI=1S/C25H28O4/c1-15(2)13-22-20-12-11-19(28-6)14-21(20)24(26)23(25(22)29-16(3)4)17-7-9-18(27-5)10-8-17/h7-12,14,16,26H,1,13H2,2-6H3
InChIKeyAKUUHDNZOUEBBD-UHFFFAOYSA-N
XLogP6.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol?
The IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol (CID 10739273) is 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol.
What is the SMILES notation for 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol?
The canonical SMILES for 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol is C=C(C)Cc1c(OC(C)C)c(-c2ccc(OC)cc2)c(O)c2cc(OC)ccc12.
What is the InChIKey of 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol?
The InChIKey is AKUUHDNZOUEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-15(2)13-22-20-12-11-19(28-6)14-21(20)24(26)23(25(22)29-16(3)4)17-7-9-18(27-5)10-8-17/h7-12,14,16,26H,1,13H2,2-6H3.
What are the key properties of 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol?
7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol has a molecular weight of 392.50 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol is sourced from PubChem (CID 10739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).