4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene

C16H14FIO — CID 175348033

IUPAC4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
SMILESFc1c2c(cc(I)c1OCc1ccccc1)CCC2
InChIInChI=1S/C16H14FIO/c17-15-13-8-4-7-12(13)9-14(18)16(15)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyCWJUWIYQIOUZGY-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.50
Rot. Bonds3

About 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene

4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene (PubChem CID 175348033) has the molecular formula C16H14FIO and a molecular weight of 368.19 g/mol. Its IUPAC name is 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
PubChem CID175348033
Molecular FormulaC16H14FIO
Molecular Weight368.19 g/mol
Exact Mass368.01
IUPAC Name4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
SMILESFc1c2c(cc(I)c1OCc1ccccc1)CCC2
InChIInChI=1S/C16H14FIO/c17-15-13-8-4-7-12(13)9-14(18)16(15)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyCWJUWIYQIOUZGY-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
CID 134328120
1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene
CID 171367726
6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
CID 68584270
7-fluoro-8-(3-fluoro-5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalen-1-yl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 134579726
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1-iodo-2-phenylmethoxy-3,5-bis(trifluoromethyl)benzene
CID 90300169
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
7-iodo-5-methyl-4-(4-phenylmethoxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene
CID 23031219
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
9-methyl-10-phenylmethoxy-1,2,3,4-tetrahydrophenanthrene
CID 71501787
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene (CID 175348033) is 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene is Fc1c2c(cc(I)c1OCc1ccccc1)CCC2.
What is the InChIKey of 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene?
The InChIKey is CWJUWIYQIOUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIO/c17-15-13-8-4-7-12(13)9-14(18)16(15)19-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2.
What are the key properties of 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene?
4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene has a molecular weight of 368.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 175348033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).