1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone

C18H20O2 — CID 80685118

IUPAC1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
SMILESCC1(C(=O)Cc2cccc3ccccc23)CCCCO1
InChIInChI=1S/C18H20O2/c1-18(11-4-5-12-20-18)17(19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyPBDHWOBTRNINJQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone

1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone (PubChem CID 80685118) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
PubChem CID80685118
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
SMILESCC1(C(=O)Cc2cccc3ccccc23)CCCCO1
InChIInChI=1S/C18H20O2/c1-18(11-4-5-12-20-18)17(19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyPBDHWOBTRNINJQ-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 112653397
2-(1-methylindazol-3-yl)-1-(2-methyloxan-2-yl)ethanone
CID 80684499
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409
[1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethyl]hydrazine
CID 105256213
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone
CID 80684491
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
2-[2-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318107
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
2-(3-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685776
N-[2-(bromomethyl)phenyl]-2-methyloxolane-2-carboxamide
CID 114309752

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone (CID 80685118) is 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone is CC1(C(=O)Cc2cccc3ccccc23)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone?
The InChIKey is PBDHWOBTRNINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(11-4-5-12-20-18)17(19)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10H,4-5,11-13H2,1H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone?
1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 80685118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).