1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol

C18H22O2 — CID 81432637

IUPAC1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1ccc2ccccc2c1C(O)CCC1CCCO1
InChIInChI=1S/C18H22O2/c1-13-8-9-14-5-2-3-7-16(14)18(13)17(19)11-10-15-6-4-12-20-15/h2-3,5,7-9,15,17,19H,4,6,10-12H2,1H3
InChIKeyJBAKVBLCNBJHPJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol

1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 81432637) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID81432637
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1ccc2ccccc2c1C(O)CCC1CCCO1
InChIInChI=1S/C18H22O2/c1-13-8-9-14-5-2-3-7-16(14)18(13)17(19)11-10-15-6-4-12-20-15/h2-3,5,7-9,15,17,19H,4,6,10-12H2,1H3
InChIKeyJBAKVBLCNBJHPJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
CID 114754924
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
2-[bromo-(2-methylnaphthalen-1-yl)methyl]oxane
CID 81431949
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol (CID 81432637) is 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol is Cc1ccc2ccccc2c1C(O)CCC1CCCO1.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is JBAKVBLCNBJHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-8-9-14-5-2-3-7-16(14)18(13)17(19)11-10-15-6-4-12-20-15/h2-3,5,7-9,15,17,19H,4,6,10-12H2,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 81432637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).