1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene

C26H28FIO2 — CID 175344651

IUPAC1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene
SMILESCOc1cccc(I)c1-c1c(C(C)C)cc(-c2ccccc2F)c(OC)c1C(C)C
InChIInChI=1S/C26H28FIO2/c1-15(2)18-14-19(17-10-7-8-11-20(17)27)26(30-6)23(16(3)4)24(18)25-21(28)12-9-13-22(25)29-5/h7-16H,1-6H3
InChIKeyXFUBEJYGUCDGRM-UHFFFAOYSA-N
MW518.41 g/mol
LogP8.03
Rot. Bonds6

About 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene

1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene (PubChem CID 175344651) has the molecular formula C26H28FIO2 and a molecular weight of 518.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene
PubChem CID175344651
Molecular FormulaC26H28FIO2
Molecular Weight518.41 g/mol
Exact Mass518.11
IUPAC Name1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene
SMILESCOc1cccc(I)c1-c1c(C(C)C)cc(-c2ccccc2F)c(OC)c1C(C)C
InChIInChI=1S/C26H28FIO2/c1-15(2)18-14-19(17-10-7-8-11-20(17)27)26(30-6)23(16(3)4)24(18)25-21(28)12-9-13-22(25)29-5/h7-16H,1-6H3
InChIKeyXFUBEJYGUCDGRM-UHFFFAOYSA-N
XLogP8.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.41
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2-iodo-3-methoxyphenyl)-4-phenyl-1,3,5-tri(propan-2-yl)benzene
CID 121483081
1-fluoro-2-methoxy-3-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 177172407
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
1-(2,6-dimethoxyphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 102444217
ditert-butyl-[2-methoxy-6-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-(2-iodo-3-methoxyphenyl)-4-phenyl-1,3,5-tri(propan-2-yl)benzene
CID 159939308
2,4-diiodo-1,5-bis[3-(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-3-methylbenzene
CID 166514580
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
CID 134329207
2-(2-iodophenyl)-1,4-dimethoxy-3-(2-methoxyphenyl)benzene
CID 175345189
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene (CID 175344651) is 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene is COc1cccc(I)c1-c1c(C(C)C)cc(-c2ccccc2F)c(OC)c1C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene?
The InChIKey is XFUBEJYGUCDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FIO2/c1-15(2)18-14-19(17-10-7-8-11-20(17)27)26(30-6)23(16(3)4)24(18)25-21(28)12-9-13-22(25)29-5/h7-16H,1-6H3.
What are the key properties of 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene?
1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene has a molecular weight of 518.41 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(2-iodo-6-methoxyphenyl)-2-methoxy-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 175344651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).