[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol

C16H18O2 — CID 116842587

IUPAC[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
SMILESCOc1ccc2cc(C3(CO)CC3C)ccc2c1
InChIInChI=1S/C16H18O2/c1-11-9-16(11,10-17)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyMIUPGHDXENUMRJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds3

About [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol

[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol (PubChem CID 116842587) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
PubChem CID116842587
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
SMILESCOc1ccc2cc(C3(CO)CC3C)ccc2c1
InChIInChI=1S/C16H18O2/c1-11-9-16(11,10-17)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyMIUPGHDXENUMRJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol?
The IUPAC name of [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol (CID 116842587) is [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol.
What is the SMILES notation for [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol?
The canonical SMILES for [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol is COc1ccc2cc(C3(CO)CC3C)ccc2c1.
What is the InChIKey of [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol?
The InChIKey is MIUPGHDXENUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-9-16(11,10-17)14-5-3-13-8-15(18-2)6-4-12(13)7-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol?
[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol has a molecular weight of 242.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol is sourced from PubChem (CID 116842587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).