2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene

C22H27ClO2 — CID 153323078

IUPAC2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene
SMILESCC(C)COc1c2c(c(OCC(C)C)c3ccccc13)CC(Cl)=CC2
InChIInChI=1S/C22H27ClO2/c1-14(2)12-24-21-17-7-5-6-8-18(17)22(25-13-15(3)4)20-11-16(23)9-10-19(20)21/h5-9,14-15H,10-13H2,1-4H3
InChIKeyMUAAZQFPUDGCAZ-UHFFFAOYSA-N
MW358.91 g/mol
LogP6.13
Rot. Bonds6

About 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene

2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene (PubChem CID 153323078) has the molecular formula C22H27ClO2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene.

Molecular Properties

Compound Name2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene
PubChem CID153323078
Molecular FormulaC22H27ClO2
Molecular Weight358.91 g/mol
Exact Mass358.17
IUPAC Name2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene
SMILESCC(C)COc1c2c(c(OCC(C)C)c3ccccc13)CC(Cl)=CC2
InChIInChI=1S/C22H27ClO2/c1-14(2)12-24-21-17-7-5-6-8-18(17)22(25-13-15(3)4)20-11-16(23)9-10-19(20)21/h5-9,14-15H,10-13H2,1-4H3
InChIKeyMUAAZQFPUDGCAZ-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trichloro-3-(2-methylpropoxy)benzene
CID 91732249
N-[1-[1-(2-methylpropoxy)naphthalen-2-yl]ethyl]cyclopropanamine
CID 43475302
2-pentyl-9,10-bis(propoxymethoxy)-1,4-dihydroanthracene
CID 153323114
1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
CID 21028359
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
9,10-dihexoxy-1,4-dihydroanthracene
CID 139881183
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
1,3-dibromo-5-(chloromethyl)-2-(2-methylpropoxy)benzene
CID 107745281
1-[[10-(2-hydroxypropoxy)-3,7-dimethoxy-5-methyl-1,4-dihydroanthracen-9-yl]oxy]propan-2-ol
CID 91171250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene?
The IUPAC name of 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene (CID 153323078) is 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene.
What is the SMILES notation for 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene?
The canonical SMILES for 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene is CC(C)COc1c2c(c(OCC(C)C)c3ccccc13)CC(Cl)=CC2.
What is the InChIKey of 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene?
The InChIKey is MUAAZQFPUDGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClO2/c1-14(2)12-24-21-17-7-5-6-8-18(17)22(25-13-15(3)4)20-11-16(23)9-10-19(20)21/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene?
2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene has a molecular weight of 358.91 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9,10-bis(2-methylpropoxy)-1,4-dihydroanthracene is sourced from PubChem (CID 153323078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).