(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol

C27H30O6 — CID 160859326

IUPAC(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
SMILESCOc1c(C)c(CO)c(OC)c2ccccc12.COc1cc(CO)c(OC)c2ccccc12
InChIInChI=1S/C14H16O3.C13H14O3/c1-9-12(8-15)14(17-3)11-7-5-4-6-10(11)13(9)16-2;1-15-12-7-9(8-14)13(16-2)11-6-4-3-5-10(11)12/h4-7,15H,8H2,1-3H3;3-7,14H,8H2,1-2H3
InChIKeySKGSCVZXQGBORJ-UHFFFAOYSA-N
MW450.53 g/mol
LogP5.01
Rot. Bonds6

About (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol

(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol (PubChem CID 160859326) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
PubChem CID160859326
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Name(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
SMILESCOc1c(C)c(CO)c(OC)c2ccccc12.COc1cc(CO)c(OC)c2ccccc12
InChIInChI=1S/C14H16O3.C13H14O3/c1-9-12(8-15)14(17-3)11-7-5-4-6-10(11)13(9)16-2;1-15-12-7-9(8-14)13(16-2)11-6-4-3-5-10(11)12/h4-7,15H,8H2,1-3H3;3-7,14H,8H2,1-2H3
InChIKeySKGSCVZXQGBORJ-UHFFFAOYSA-N
XLogP5.01
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
CID 10518090
(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
CID 51040592
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
[3-(hydroxymethyl)-5-[[4-(hydroxymethyl)-3,5-dimethoxyphenyl]methyl]-2-methoxyphenyl]methanol
CID 71104274
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
CID 169273803
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol?
The IUPAC name of (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol (CID 160859326) is (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol.
What is the SMILES notation for (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol?
The canonical SMILES for (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol is COc1c(C)c(CO)c(OC)c2ccccc12.COc1cc(CO)c(OC)c2ccccc12.
What is the InChIKey of (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol?
The InChIKey is SKGSCVZXQGBORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3.C13H14O3/c1-9-12(8-15)14(17-3)11-7-5-4-6-10(11)13(9)16-2;1-15-12-7-9(8-14)13(16-2)11-6-4-3-5-10(11)12/h4-7,15H,8H2,1-3H3;3-7,14H,8H2,1-2H3.
What are the key properties of (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol?
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol has a molecular weight of 450.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol is sourced from PubChem (CID 160859326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).