5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene

C15H15BrO — CID 171477304

IUPAC5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1cc(Br)c2c3c(ccc2c1)CCCC3
InChIInChI=1S/C15H15BrO/c1-17-12-8-11-7-6-10-4-2-3-5-13(10)15(11)14(16)9-12/h6-9H,2-5H2,1H3
InChIKeyYQTXZAZHCSTLGE-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.49
Rot. Bonds1

About 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene

5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene (PubChem CID 171477304) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene
PubChem CID171477304
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene
SMILESCOc1cc(Br)c2c3c(ccc2c1)CCCC3
InChIInChI=1S/C15H15BrO/c1-17-12-8-11-7-6-10-4-2-3-5-13(10)15(11)14(16)9-12/h6-9H,2-5H2,1H3
InChIKeyYQTXZAZHCSTLGE-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-1,2,3,4-tetrahydrophenanthrene
CID 14828207
9-bromo-7-methoxybenzo[g][1]benzothiole
CID 171477320
3-bromo-1-methoxy-5,6,7,8-tetrahydroisoquinoline
CID 154352348
6-bromo-4-(3,5-dimethoxyphenyl)-2,3-dihydro-1H-indene
CID 69160150
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
CID 11196307
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740
5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
CID 53472046
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 101048600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene (CID 171477304) is 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene is COc1cc(Br)c2c3c(ccc2c1)CCCC3.
What is the InChIKey of 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is YQTXZAZHCSTLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-17-12-8-11-7-6-10-4-2-3-5-13(10)15(11)14(16)9-12/h6-9H,2-5H2,1H3.
What are the key properties of 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene?
5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 291.19 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 171477304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).