1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol

C16H20O2 — CID 61101734

IUPAC1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)C)c2ccccc12
InChIInChI=1S/C16H20O2/c1-16(2,3)15(17)13-9-10-14(18-4)12-8-6-5-7-11(12)13/h5-10,15,17H,1-4H3
InChIKeyVQOVTAZICKMORW-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol

1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 61101734) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID61101734
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)C)c2ccccc12
InChIInChI=1S/C16H20O2/c1-16(2,3)15(17)13-9-10-14(18-4)12-8-6-5-7-11(12)13/h5-10,15,17H,1-4H3
InChIKeyVQOVTAZICKMORW-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107002440
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol (CID 61101734) is 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol is COc1ccc(C(O)C(C)(C)C)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is VQOVTAZICKMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-16(2,3)15(17)13-9-10-14(18-4)12-8-6-5-7-11(12)13/h5-10,15,17H,1-4H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.93, 2 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 61101734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).