4-fluoro-2-methyl-1-propan-2-yloxybenzene

C10H13FO — CID 58970665

IUPAC4-fluoro-2-methyl-1-propan-2-yloxybenzene
SMILESCc1cc(F)ccc1OC(C)C
InChIInChI=1S/C10H13FO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,1-3H3
InChIKeyHOERSNRFHPEDFF-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.92
Rot. Bonds2

About 4-fluoro-2-methyl-1-propan-2-yloxybenzene

4-fluoro-2-methyl-1-propan-2-yloxybenzene (PubChem CID 58970665) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-propan-2-yloxybenzene
PubChem CID58970665
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-fluoro-2-methyl-1-propan-2-yloxybenzene
SMILESCc1cc(F)ccc1OC(C)C
InChIInChI=1S/C10H13FO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,1-3H3
InChIKeyHOERSNRFHPEDFF-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445564
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-propan-2-yloxybenzene?
The IUPAC name of 4-fluoro-2-methyl-1-propan-2-yloxybenzene (CID 58970665) is 4-fluoro-2-methyl-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-propan-2-yloxybenzene?
The canonical SMILES for 4-fluoro-2-methyl-1-propan-2-yloxybenzene is Cc1cc(F)ccc1OC(C)C.
What is the InChIKey of 4-fluoro-2-methyl-1-propan-2-yloxybenzene?
The InChIKey is HOERSNRFHPEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-1-propan-2-yloxybenzene?
4-fluoro-2-methyl-1-propan-2-yloxybenzene has a molecular weight of 168.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-propan-2-yloxybenzene is sourced from PubChem (CID 58970665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).