(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone

C16H22O3 — CID 104610131

IUPAC(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCOC1(C(=O)c2ccccc2OC(C)C)CCCC1
InChIInChI=1S/C16H22O3/c1-12(2)19-14-9-5-4-8-13(14)15(17)16(18-3)10-6-7-11-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyAKWCPZCYFVROPM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.62
Rot. Bonds5

About (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone

(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 104610131) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID104610131
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCOC1(C(=O)c2ccccc2OC(C)C)CCCC1
InChIInChI=1S/C16H22O3/c1-12(2)19-14-9-5-4-8-13(14)15(17)16(18-3)10-6-7-11-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyAKWCPZCYFVROPM-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-propan-2-yloxyphenyl)methanone
CID 116600547
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
CID 116568498
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone (CID 104610131) is (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone is COC1(C(=O)c2ccccc2OC(C)C)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is AKWCPZCYFVROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(2)19-14-9-5-4-8-13(14)15(17)16(18-3)10-6-7-11-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone?
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 104610131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).