ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol

C16H18O3 — CID 118354681

IUPACethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
SMILESC=COC=C.OCc1ccc(CO)c2ccccc12
InChIInChI=1S/C12H12O2.C4H6O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-3-5-4-2/h1-6,13-14H,7-8H2;3-4H,1-2H2
InChIKeyHNGWPKVNFWEEGY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.11
Rot. Bonds4

About ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol

ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol (PubChem CID 118354681) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol.

Molecular Properties

Compound Nameethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
PubChem CID118354681
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
SMILESC=COC=C.OCc1ccc(CO)c2ccccc12
InChIInChI=1S/C12H12O2.C4H6O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-3-5-4-2/h1-6,13-14H,7-8H2;3-4H,1-2H2
InChIKeyHNGWPKVNFWEEGY-UHFFFAOYSA-N
XLogP3.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol?
The IUPAC name of ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol (CID 118354681) is ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol.
What is the SMILES notation for ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol?
The canonical SMILES for ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol is C=COC=C.OCc1ccc(CO)c2ccccc12.
What is the InChIKey of ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol?
The InChIKey is HNGWPKVNFWEEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C4H6O/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-3-5-4-2/h1-6,13-14H,7-8H2;3-4H,1-2H2.
What are the key properties of ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol?
ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol is sourced from PubChem (CID 118354681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).