1-(4-methoxynaphthalen-1-yl)octan-1-ol

C19H26O2 — CID 63426458

IUPAC1-(4-methoxynaphthalen-1-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H26O2/c1-3-4-5-6-7-12-18(20)16-13-14-19(21-2)17-11-9-8-10-15(16)17/h8-11,13-14,18,20H,3-7,12H2,1-2H3
InChIKeyFDCYGFWSLVDDEB-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.24
Rot. Bonds8

About 1-(4-methoxynaphthalen-1-yl)octan-1-ol

1-(4-methoxynaphthalen-1-yl)octan-1-ol (PubChem CID 63426458) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)octan-1-ol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)octan-1-ol
PubChem CID63426458
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1-(4-methoxynaphthalen-1-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C19H26O2/c1-3-4-5-6-7-12-18(20)16-13-14-19(21-2)17-11-9-8-10-15(16)17/h8-11,13-14,18,20H,3-7,12H2,1-2H3
InChIKeyFDCYGFWSLVDDEB-UHFFFAOYSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(1-chlorobutyl)-4-methoxynaphthalene
CID 63430592
1-dodecylsulfanyl-4-methoxynaphthalene
CID 71335030
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)octan-1-ol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)octan-1-ol (CID 63426458) is 1-(4-methoxynaphthalen-1-yl)octan-1-ol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)octan-1-ol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)octan-1-ol is CCCCCCCC(O)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)octan-1-ol?
The InChIKey is FDCYGFWSLVDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-4-5-6-7-12-18(20)16-13-14-19(21-2)17-11-9-8-10-15(16)17/h8-11,13-14,18,20H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)octan-1-ol?
1-(4-methoxynaphthalen-1-yl)octan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)octan-1-ol is sourced from PubChem (CID 63426458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).