(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone

C14H18O3 — CID 80685429

IUPAC(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
SMILESCOc1cccc(C(=O)C2(C)CCCCO2)c1
InChIInChI=1S/C14H18O3/c1-14(8-3-4-9-17-14)13(15)11-6-5-7-12(10-11)16-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyNUDHNWNQZGZMSW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.84
Rot. Bonds3

About (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone

(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone (PubChem CID 80685429) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
PubChem CID80685429
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
SMILESCOc1cccc(C(=O)C2(C)CCCCO2)c1
InChIInChI=1S/C14H18O3/c1-14(8-3-4-9-17-14)13(15)11-6-5-7-12(10-11)16-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyNUDHNWNQZGZMSW-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
CID 70732555
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CID 116543391
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5415380
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 80690970

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone (CID 80685429) is (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone is COc1cccc(C(=O)C2(C)CCCCO2)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone?
The InChIKey is NUDHNWNQZGZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(8-3-4-9-17-14)13(15)11-6-5-7-12(10-11)16-2/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone?
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 80685429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).