2-chloro-9,10-di(propan-2-yloxy)anthracene

C20H21ClO2 — CID 139930221

IUPAC2-chloro-9,10-di(propan-2-yloxy)anthracene
SMILESCC(C)Oc1c2ccccc2c(OC(C)C)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClO2/c1-12(2)22-19-15-7-5-6-8-16(15)20(23-13(3)4)18-11-14(21)9-10-17(18)19/h5-13H,1-4H3
InChIKeyQWSIFPQFZAGIEZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP6.22
Rot. Bonds4

About 2-chloro-9,10-di(propan-2-yloxy)anthracene

2-chloro-9,10-di(propan-2-yloxy)anthracene (PubChem CID 139930221) has the molecular formula C20H21ClO2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-chloro-9,10-di(propan-2-yloxy)anthracene.

Molecular Properties

Compound Name2-chloro-9,10-di(propan-2-yloxy)anthracene
PubChem CID139930221
Molecular FormulaC20H21ClO2
Molecular Weight328.84 g/mol
Exact Mass328.12
IUPAC Name2-chloro-9,10-di(propan-2-yloxy)anthracene
SMILESCC(C)Oc1c2ccccc2c(OC(C)C)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClO2/c1-12(2)22-19-15-7-5-6-8-16(15)20(23-13(3)4)18-11-14(21)9-10-17(18)19/h5-13H,1-4H3
InChIKeyQWSIFPQFZAGIEZ-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-di(butan-2-yloxy)-2-chloroanthracene
CID 139930239
9-propan-2-yloxyanthracene
CID 13287348
1,2,9,10-tetra(propan-2-yloxy)anthracene
CID 139929958
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
2-chloro-9,10-dioctoxyanthracene
CID 135239618
2-chloro-9,10-diheptoxyanthracene
CID 135239688
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-[10-(1-hydroxyethoxy)anthracen-9-yl]oxyethanol
CID 153326329
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,10-di(propan-2-yloxy)anthracene?
The IUPAC name of 2-chloro-9,10-di(propan-2-yloxy)anthracene (CID 139930221) is 2-chloro-9,10-di(propan-2-yloxy)anthracene.
What is the SMILES notation for 2-chloro-9,10-di(propan-2-yloxy)anthracene?
The canonical SMILES for 2-chloro-9,10-di(propan-2-yloxy)anthracene is CC(C)Oc1c2ccccc2c(OC(C)C)c2cc(Cl)ccc12.
What is the InChIKey of 2-chloro-9,10-di(propan-2-yloxy)anthracene?
The InChIKey is QWSIFPQFZAGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO2/c1-12(2)22-19-15-7-5-6-8-16(15)20(23-13(3)4)18-11-14(21)9-10-17(18)19/h5-13H,1-4H3.
What are the key properties of 2-chloro-9,10-di(propan-2-yloxy)anthracene?
2-chloro-9,10-di(propan-2-yloxy)anthracene has a molecular weight of 328.84 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9,10-di(propan-2-yloxy)anthracene is sourced from PubChem (CID 139930221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).