1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol

C16H14Cl2O2 — CID 67059855

IUPAC1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C16H14Cl2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)14-8-11(17)3-5-15(14)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyZYLHRZBYVMKDQY-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.18
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol

1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 67059855) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID67059855
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(c1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C16H14Cl2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)14-8-11(17)3-5-15(14)18/h2-5,8-9,19H,6-7H2,1H3
InChIKeyZYLHRZBYVMKDQY-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
6-methoxy-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 79371785
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107432385
5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
CID 80562890
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531723
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057964

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol (CID 67059855) is 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(c1cc(Cl)ccc1Cl)CC2.
What is the InChIKey of 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is ZYLHRZBYVMKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-20-12-4-2-10-6-7-16(19,13(10)9-12)14-8-11(17)3-5-15(14)18/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol?
1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 309.19 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 67059855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).