1-methoxy-3-naphthalen-2-ylpropan-2-ol

C14H16O2 — CID 105112115

IUPAC1-methoxy-3-naphthalen-2-ylpropan-2-ol
SMILESCOCC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c1-16-10-14(15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14-15H,9-10H2,1H3
InChIKeyYWFWDYPPYWUADP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.39
Rot. Bonds4

About 1-methoxy-3-naphthalen-2-ylpropan-2-ol

1-methoxy-3-naphthalen-2-ylpropan-2-ol (PubChem CID 105112115) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxy-3-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-naphthalen-2-ylpropan-2-ol
PubChem CID105112115
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-methoxy-3-naphthalen-2-ylpropan-2-ol
SMILESCOCC(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c1-16-10-14(15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14-15H,9-10H2,1H3
InChIKeyYWFWDYPPYWUADP-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-3-propan-2-yloxypropan-2-ol
CID 105114348
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1-methoxy-3-naphthalen-2-ylpropan-2-ol (CID 105112115) is 1-methoxy-3-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-naphthalen-2-ylpropan-2-ol is COCC(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-methoxy-3-naphthalen-2-ylpropan-2-ol?
The InChIKey is YWFWDYPPYWUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-10-14(15)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14-15H,9-10H2,1H3.
What are the key properties of 1-methoxy-3-naphthalen-2-ylpropan-2-ol?
1-methoxy-3-naphthalen-2-ylpropan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 105112115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).