2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate

C26H26O3 — CID 158105320

IUPAC2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
SMILESCC(=O)OCCc1cccc2ccccc12.OCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2.C12H12O/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h2-8H,9-10H2,1H3;1-7,13H,8-9H2
InChIKeyFPTIHSIGGPOQRV-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.32
Rot. Bonds5

About 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate

2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate (PubChem CID 158105320) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate.

Molecular Properties

Compound Name2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
PubChem CID158105320
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
SMILESCC(=O)OCCc1cccc2ccccc12.OCCc1cccc2ccccc12
InChIInChI=1S/C14H14O2.C12H12O/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h2-8H,9-10H2,1H3;1-7,13H,8-9H2
InChIKeyFPTIHSIGGPOQRV-UHFFFAOYSA-N
XLogP5.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-ylethyl acetate
CID 592920
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
ethane-1,2-diol;2-naphthalen-1-ylethyl hydrogen sulfate
CID 87696257
3-naphthalen-1-ylpropyl carbamate
CID 175301350
2-chrysen-1-ylethanol
CID 87369772
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650
1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate
CID 58021629
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate?
The IUPAC name of 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate (CID 158105320) is 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate.
What is the SMILES notation for 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate?
The canonical SMILES for 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate is CC(=O)OCCc1cccc2ccccc12.OCCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate?
The InChIKey is FPTIHSIGGPOQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C12H12O/c1-11(15)16-10-9-13-7-4-6-12-5-2-3-8-14(12)13;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h2-8H,9-10H2,1H3;1-7,13H,8-9H2.
What are the key properties of 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate?
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate has a molecular weight of 386.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate is sourced from PubChem (CID 158105320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).