3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol

C18H18O3 — CID 63937091

IUPAC3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C18H18O3/c19-11-3-6-17-16-5-2-1-4-14(16)7-8-18(17)21-15-9-12-20-13-10-15/h1-2,4-5,7-8,15,19H,9-13H2
InChIKeyNNCKCRFHZYBAHC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds2

About 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol

3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol (PubChem CID 63937091) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
PubChem CID63937091
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OC2CCOCC2)ccc2ccccc12
InChIInChI=1S/C18H18O3/c19-11-3-6-17-16-5-2-1-4-14(16)7-8-18(17)21-15-9-12-20-13-10-15/h1-2,4-5,7-8,15,19H,9-13H2
InChIKeyNNCKCRFHZYBAHC-UHFFFAOYSA-N
XLogP2.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 2-naphthyl ether
CID 123080
Propranolol glycol
CID 37369
Butyl beta-naphthyl ether
CID 82664
Naproxol
CID 3032818
Benzo(kl)xanthene
CID 67456
Nabumetone alcohol
CID 10911373
Naphthalene, 1-(phenylmethoxy)-
CID 136404
2-(2-Naphthoxy)ethanol
CID 7131
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
(4-Methoxynaphthalen-1-yl)methanol
CID 900419
4-Methoxy-1-methylnaphthalene
CID 4381467
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol (CID 63937091) is 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol is OCC#Cc1c(OC2CCOCC2)ccc2ccccc12.
What is the InChIKey of 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol?
The InChIKey is NNCKCRFHZYBAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-11-3-6-17-16-5-2-1-4-14(16)7-8-18(17)21-15-9-12-20-13-10-15/h1-2,4-5,7-8,15,19H,9-13H2.
What are the key properties of 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol?
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol has a molecular weight of 282.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol is sourced from PubChem (CID 63937091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).