(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride

C14H17ClO3 — CID 172703770

IUPAC(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
SMILESCCOc1cc2cccc(CO)c2cc1OC.Cl
InChIInChI=1S/C14H16O3.ClH/c1-3-17-14-7-10-5-4-6-11(9-15)12(10)8-13(14)16-2;/h4-8,15H,3,9H2,1-2H3;1H
InChIKeyDHSKSIWZTZICLS-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.16
Rot. Bonds4

About (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride

(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride (PubChem CID 172703770) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
PubChem CID172703770
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
SMILESCCOc1cc2cccc(CO)c2cc1OC.Cl
InChIInChI=1S/C14H16O3.ClH/c1-3-17-14-7-10-5-4-6-11(9-15)12(10)8-13(14)16-2;/h4-8,15H,3,9H2,1-2H3;1H
InChIKeyDHSKSIWZTZICLS-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanol
CID 1315850
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanol
CID 43366742
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
[4-[2-[2-ethyl-4,5-bis(hydroxymethyl)phenoxy]ethoxy]-2-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 134578778
1-[6-(hydroxymethyl)-7-methoxynaphthalen-1-yl]oxy-2-methylpropan-2-ol
CID 149240662
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride?
The IUPAC name of (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride (CID 172703770) is (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride.
What is the SMILES notation for (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride?
The canonical SMILES for (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride is CCOc1cc2cccc(CO)c2cc1OC.Cl.
What is the InChIKey of (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride?
The InChIKey is DHSKSIWZTZICLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3.ClH/c1-3-17-14-7-10-5-4-6-11(9-15)12(10)8-13(14)16-2;/h4-8,15H,3,9H2,1-2H3;1H.
What are the key properties of (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride?
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride is sourced from PubChem (CID 172703770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).