3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol

C18H18O2 — CID 65458406

IUPAC3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc(OCC3CCC3)ccc2c1
InChIInChI=1S/C18H18O2/c19-10-2-5-14-6-7-17-12-18(9-8-16(17)11-14)20-13-15-3-1-4-15/h6-9,11-12,15,19H,1,3-4,10,13H2
InChIKeyFCNRXDGNRIAGDK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds3

About 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol

3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol (PubChem CID 65458406) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
PubChem CID65458406
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc(OCC3CCC3)ccc2c1
InChIInChI=1S/C18H18O2/c19-10-2-5-14-6-7-17-12-18(9-8-16(17)11-14)20-13-15-3-1-4-15/h6-9,11-12,15,19H,1,3-4,10,13H2
InChIKeyFCNRXDGNRIAGDK-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)benzene
CID 65458621
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 54995626
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
CID 23465055
4-(cyclobutylmethoxy)benzenethiol
CID 97179596
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
CID 106203857
1-[6-(cyclopentylmethoxy)naphthalen-2-yl]thiolan-1-ium
CID 23089313
(2R)-2-[[4-[4-[2-[6-(cyclopropylmethoxy)naphthalen-2-yl]ethynyl]phenyl]piperazin-1-yl]sulfonylamino]propanoic acid
CID 68935994
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
3-[4-(2-cyclopentylsulfanylethoxy)phenyl]prop-2-yn-1-ol
CID 63115354
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
7-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485557

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol (CID 65458406) is 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc2cc(OCC3CCC3)ccc2c1.
What is the InChIKey of 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The InChIKey is FCNRXDGNRIAGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-10-2-5-14-6-7-17-12-18(9-8-16(17)11-14)20-13-15-3-1-4-15/h6-9,11-12,15,19H,1,3-4,10,13H2.
What are the key properties of 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 65458406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).