ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol

C28H32O4 — CID 161264919

IUPACethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol
SMILESC=COCC.CCOC(C)Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/C14H16O2.C10H8O.C4H8O/c1-3-15-11(2)16-14-10-6-8-12-7-4-5-9-13(12)14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h4-11H,3H2,1-2H3;1-7,11H;3H,1,4H2,2H3
InChIKeyVDAYHIABQYYCSR-UHFFFAOYSA-N
MW432.56 g/mol
LogP7.31
Rot. Bonds6

About ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol

ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol (PubChem CID 161264919) has the molecular formula C28H32O4 and a molecular weight of 432.56 g/mol. Its IUPAC name is ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol.

Molecular Properties

Compound Nameethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol
PubChem CID161264919
Molecular FormulaC28H32O4
Molecular Weight432.56 g/mol
Exact Mass432.23
IUPAC Nameethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol
SMILESC=COCC.CCOC(C)Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/C14H16O2.C10H8O.C4H8O/c1-3-15-11(2)16-14-10-6-8-12-7-4-5-9-13(12)14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h4-11H,3H2,1-2H3;1-7,11H;3H,1,4H2,2H3
InChIKeyVDAYHIABQYYCSR-UHFFFAOYSA-N
XLogP7.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[ethoxy(methoxy)methoxy]naphthalene
CID 173038488
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
butane;naphthalen-1-ol
CID 142905950
1-(1-naphthalen-2-yloxyethoxy)naphthalene
CID 173215888
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
3-chloroprop-1-ene;naphthalen-1-ol
CID 174471084
3-naphthalen-1-yloxybutan-2-amine
CID 61353767
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
chloromethane;ethane;naphthalen-1-ol
CID 144848699

Frequently Asked Questions

What is the IUPAC name of ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol?
The IUPAC name of ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol (CID 161264919) is ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol.
What is the SMILES notation for ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol?
The canonical SMILES for ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol is C=COCC.CCOC(C)Oc1cccc2ccccc12.Oc1cccc2ccccc12.
What is the InChIKey of ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol?
The InChIKey is VDAYHIABQYYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2.C10H8O.C4H8O/c1-3-15-11(2)16-14-10-6-8-12-7-4-5-9-13(12)14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-5-4-2/h4-11H,3H2,1-2H3;1-7,11H;3H,1,4H2,2H3.
What are the key properties of ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol?
ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol has a molecular weight of 432.56 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;1-(1-ethoxyethoxy)naphthalene;naphthalen-1-ol is sourced from PubChem (CID 161264919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).