1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene

C16H17FO — CID 139457109

IUPAC1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(CCCF)cc2)cc1
InChIInChI=1S/C16H17FO/c1-18-16-10-8-15(9-11-16)14-6-4-13(5-7-14)3-2-12-17/h4-11H,2-3,12H2,1H3
InChIKeyNGJUKRCQPIAGFS-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.26
Rot. Bonds5

About 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene

1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene (PubChem CID 139457109) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
PubChem CID139457109
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(CCCF)cc2)cc1
InChIInChI=1S/C16H17FO/c1-18-16-10-8-15(9-11-16)14-6-4-13(5-7-14)3-2-12-17/h4-11H,2-3,12H2,1H3
InChIKeyNGJUKRCQPIAGFS-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
ethanamine;1-methoxy-4-propylbenzene
CID 19382800

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene?
The IUPAC name of 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene (CID 139457109) is 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(CCCF)cc2)cc1.
What is the InChIKey of 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene?
The InChIKey is NGJUKRCQPIAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-18-16-10-8-15(9-11-16)14-6-4-13(5-7-14)3-2-12-17/h4-11H,2-3,12H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene?
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene has a molecular weight of 244.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 139457109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).