5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene

C19H23BrO — CID 165350572

IUPAC5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene
SMILESCOc1ccc2cc3c(cc2c1Br)C(C)(C)CCC3(C)C
InChIInChI=1S/C19H23BrO/c1-18(2)8-9-19(3,4)15-11-13-12(10-14(15)18)6-7-16(21-5)17(13)20/h6-7,10-11H,8-9H2,1-5H3
InChIKeySLWAHRDPIMTYJX-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.96
Rot. Bonds1

About 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene

5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene (PubChem CID 165350572) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene.

Molecular Properties

Compound Name5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene
PubChem CID165350572
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene
SMILESCOc1ccc2cc3c(cc2c1Br)C(C)(C)CCC3(C)C
InChIInChI=1S/C19H23BrO/c1-18(2)8-9-19(3,4)15-11-13-12(10-14(15)18)6-7-16(21-5)17(13)20/h6-7,10-11H,8-9H2,1-5H3
InChIKeySLWAHRDPIMTYJX-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
1-Bromo-2-methoxynaphthalene
CID 72860
1-Bromo-4-methoxynaphthalene
CID 138521
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
Phenanthrene, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
CID 484412
1-Bromo-6-propyl-2-naphthalenyl Ester N,N-Dimethylcarbamic Acid
CID 51039096
8-Bromo-4-(3,5-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 60144708
1-Bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)naphthalene
CID 60144868
9-Bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene
CID 46186035
1-Bromo-2,3-dimethoxynaphthalene
CID 16217848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene?
The IUPAC name of 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene (CID 165350572) is 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene.
What is the SMILES notation for 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene?
The canonical SMILES for 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene is COc1ccc2cc3c(cc2c1Br)C(C)(C)CCC3(C)C.
What is the InChIKey of 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene?
The InChIKey is SLWAHRDPIMTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-18(2)8-9-19(3,4)15-11-13-12(10-14(15)18)6-7-16(21-5)17(13)20/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene?
5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene has a molecular weight of 347.30 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-1,1,4,4-tetramethyl-2,3-dihydroanthracene is sourced from PubChem (CID 165350572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).