6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene

C17H16ClIO2 — CID 175163587

IUPAC6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESClCc1cc(OCc2ccccc2)c2c(c1I)CCCO2
InChIInChI=1S/C17H16ClIO2/c18-10-13-9-15(21-11-12-5-2-1-3-6-12)17-14(16(13)19)7-4-8-20-17/h1-3,5-6,9H,4,7-8,10-11H2
InChIKeyUVXUURHZDBPKHW-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.93
Rot. Bonds4

About 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene

6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene (PubChem CID 175163587) has the molecular formula C17H16ClIO2 and a molecular weight of 414.67 g/mol. Its IUPAC name is 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene
PubChem CID175163587
Molecular FormulaC17H16ClIO2
Molecular Weight414.67 g/mol
Exact Mass413.99
IUPAC Name6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESClCc1cc(OCc2ccccc2)c2c(c1I)CCCO2
InChIInChI=1S/C17H16ClIO2/c18-10-13-9-15(21-11-12-5-2-1-3-6-12)17-14(16(13)19)7-4-8-20-17/h1-3,5-6,9H,4,7-8,10-11H2
InChIKeyUVXUURHZDBPKHW-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
CID 144528197
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
10,41-bis(phenylmethoxy)-12,18,33,39-tetraoxa-25,26-diazaheptacyclo[38.8.0.02,11.03,8.019,24.027,32.043,48]octatetraconta-1(40),2(11),3,5,7,9,19,21,23,25,27,29,31,41,43,45,47-heptadecaene
CID 54577288
6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 146246663
5-(4-bromo-7-phenylmethoxy-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpyrrolidin-1-amine
CID 146515361
4-[3-(chloromethyl)-4-phenylmethoxyphenoxy]-5-methyl-7-nitro-2,3-dihydro-1H-indene
CID 23031167
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
ethyl (5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-7-yl) carbonate
CID 22364456
7-[2-(bromomethyl)-3-methylbutyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxine
CID 22924630
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene (CID 175163587) is 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene is ClCc1cc(OCc2ccccc2)c2c(c1I)CCCO2.
What is the InChIKey of 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene?
The InChIKey is UVXUURHZDBPKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIO2/c18-10-13-9-15(21-11-12-5-2-1-3-6-12)17-14(16(13)19)7-4-8-20-17/h1-3,5-6,9H,4,7-8,10-11H2.
What are the key properties of 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene?
6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene has a molecular weight of 414.67 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-iodo-8-phenylmethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 175163587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).