(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone

C16H22O2 — CID 80690970

IUPAC(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(C)CCCCO2)cc1C
InChIInChI=1S/C16H22O2/c1-11-9-13(3)14(10-12(11)2)15(17)16(4)7-5-6-8-18-16/h9-10H,5-8H2,1-4H3
InChIKeyNSQWVDDHPJPZEL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.75
Rot. Bonds2

About (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone

(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 80690970) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID80690970
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(C)CCCCO2)cc1C
InChIInChI=1S/C16H22O2/c1-11-9-13(3)14(10-12(11)2)15(17)16(4)7-5-6-8-18-16/h9-10H,5-8H2,1-4H3
InChIKeyNSQWVDDHPJPZEL-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80691647
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80684654
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
ethane;2-methyloxane-2-carboxamide
CID 171543445
(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80690249
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
(4-methoxy-1-methylpyrazol-5-yl)-(2-methyloxan-2-yl)methanone
CID 114641841
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone (CID 80690970) is (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2(C)CCCCO2)cc1C.
What is the InChIKey of (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is NSQWVDDHPJPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-9-13(3)14(10-12(11)2)15(17)16(4)7-5-6-8-18-16/h9-10H,5-8H2,1-4H3.
What are the key properties of (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone?
(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 80690970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).