4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene

C14H19FO — CID 122488815

IUPAC4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene
SMILESCOc1cc(F)ccc1C1CC1CC(C)C
InChIInChI=1S/C14H19FO/c1-9(2)6-10-7-13(10)12-5-4-11(15)8-14(12)16-3/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyPRTNXKXXTSWDHU-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.98
Rot. Bonds4

About 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene

4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene (PubChem CID 122488815) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene
PubChem CID122488815
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene
SMILESCOc1cc(F)ccc1C1CC1CC(C)C
InChIInChI=1S/C14H19FO/c1-9(2)6-10-7-13(10)12-5-4-11(15)8-14(12)16-3/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyPRTNXKXXTSWDHU-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
3-(cyclopropylmethyl)-7-[[2-(4-fluoro-2-methoxyphenyl)cyclopropyl]methoxy]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 123551523
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
1-[2-(chloromethyl)cyclopropyl]-2,3,4-trimethoxybenzene
CID 81358770
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
CID 146184894
[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012452
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene?
The IUPAC name of 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene (CID 122488815) is 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene?
The canonical SMILES for 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene is COc1cc(F)ccc1C1CC1CC(C)C.
What is the InChIKey of 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene?
The InChIKey is PRTNXKXXTSWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-9(2)6-10-7-13(10)12-5-4-11(15)8-14(12)16-3/h4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene?
4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene has a molecular weight of 222.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-[2-(2-methylpropyl)cyclopropyl]benzene is sourced from PubChem (CID 122488815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).