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

C14H16O2 — CID 101246159

IUPAC3-methoxy-3-naphthalen-2-ylpropan-1-ol
SMILESCOC(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15H,8-9H2,1H3
InChIKeyDJBCIRXZJZJSLQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds4

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

3-methoxy-3-naphthalen-2-ylpropan-1-ol (PubChem CID 101246159) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methoxy-3-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-naphthalen-2-ylpropan-1-ol
PubChem CID101246159
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-methoxy-3-naphthalen-2-ylpropan-1-ol
SMILESCOC(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15H,8-9H2,1H3
InChIKeyDJBCIRXZJZJSLQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
4-(2-methoxy-2-naphthalen-2-ylethyl)-3H-1,2,3,5-oxathiadiazole
CID 57037677
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
2-naphthalen-2-yl-2-propan-2-yloxyethanamine
CID 53276113
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116715210
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-methoxy-3-naphthalen-2-ylpropan-1-ol (CID 101246159) is 3-methoxy-3-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-methoxy-3-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-methoxy-3-naphthalen-2-ylpropan-1-ol is COC(CCO)c1ccc2ccccc2c1.
What is the InChIKey of 3-methoxy-3-naphthalen-2-ylpropan-1-ol?
The InChIKey is DJBCIRXZJZJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15H,8-9H2,1H3.
What are the key properties of 3-methoxy-3-naphthalen-2-ylpropan-1-ol?
3-methoxy-3-naphthalen-2-ylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 101246159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).