[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol

C25H24O4 — CID 10620308

IUPAC[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
SMILESCOc1c(CO)cc(Cc2cc(CO)c(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H24O4/c1-28-24-18(14-26)12-16(20-7-3-5-9-22(20)24)11-17-13-19(15-27)25(29-2)23-10-6-4-8-21(17)23/h3-10,12-13,26-27H,11,14-15H2,1-2H3
InChIKeyRKUMVPJMXWABJD-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.59
Rot. Bonds6

About [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol

[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol (PubChem CID 10620308) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
PubChem CID10620308
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
SMILESCOc1c(CO)cc(Cc2cc(CO)c(OC)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H24O4/c1-28-24-18(14-26)12-16(20-7-3-5-9-22(20)24)11-17-13-19(15-27)25(29-2)23-10-6-4-8-21(17)23/h3-10,12-13,26-27H,11,14-15H2,1-2H3
InChIKeyRKUMVPJMXWABJD-UHFFFAOYSA-N
XLogP4.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol?
The IUPAC name of [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol (CID 10620308) is [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol.
What is the SMILES notation for [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol?
The canonical SMILES for [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol is COc1c(CO)cc(Cc2cc(CO)c(OC)c3ccccc23)c2ccccc12.
What is the InChIKey of [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol?
The InChIKey is RKUMVPJMXWABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-28-24-18(14-26)12-16(20-7-3-5-9-22(20)24)11-17-13-19(15-27)25(29-2)23-10-6-4-8-21(17)23/h3-10,12-13,26-27H,11,14-15H2,1-2H3.
What are the key properties of [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol?
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol has a molecular weight of 388.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol is sourced from PubChem (CID 10620308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).