2-(6-methoxynaphthalen-2-yl)propan-2-ol

C14H16O2 — CID 3511501

IUPAC2-(6-methoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(C)O)ccc2c1
InChIInChI=1S/C14H16O2/c1-14(2,15)12-6-4-11-9-13(16-3)7-5-10(11)8-12/h4-9,15H,1-3H3
InChIKeyJBFSELUOSSTETM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.08
Rot. Bonds2

About 2-(6-methoxynaphthalen-2-yl)propan-2-ol

2-(6-methoxynaphthalen-2-yl)propan-2-ol (PubChem CID 3511501) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)propan-2-ol
PubChem CID3511501
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(6-methoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2cc(C(C)(C)O)ccc2c1
InChIInChI=1S/C14H16O2/c1-14(2,15)12-6-4-11-9-13(16-3)7-5-10(11)8-12/h4-9,15H,1-3H3
InChIKeyJBFSELUOSSTETM-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)propan-2-ol?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)propan-2-ol (CID 3511501) is 2-(6-methoxynaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)propan-2-ol?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)propan-2-ol is COc1ccc2cc(C(C)(C)O)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)propan-2-ol?
The InChIKey is JBFSELUOSSTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-14(2,15)12-6-4-11-9-13(16-3)7-5-10(11)8-12/h4-9,15H,1-3H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)propan-2-ol?
2-(6-methoxynaphthalen-2-yl)propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 3511501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).