1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol

C22H25BrO — CID 135015641

IUPAC1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1c(Br)c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C22H25BrO/c23-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)20(24)14-15-8-2-1-3-9-15/h1-3,8-9,20,24H,4-7,10-14H2
InChIKeyYNMGWFFWUZLZDH-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.48
Rot. Bonds3

About 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol

1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol (PubChem CID 135015641) has the molecular formula C22H25BrO and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol
PubChem CID135015641
Molecular FormulaC22H25BrO
Molecular Weight385.35 g/mol
Exact Mass384.11
IUPAC Name1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1c(Br)c2c(c3c1CCCC3)CCCC2
InChIInChI=1S/C22H25BrO/c23-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)20(24)14-15-8-2-1-3-9-15/h1-3,8-9,20,24H,4-7,10-14H2
InChIKeyYNMGWFFWUZLZDH-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromadiolone metabolite Unk 1
CID 139595396
Bromadiolone metabolite,M9
CID 139595937
(2S,3R,4R,5S,6R)-2-[4-bromo-3-[(4-ethylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 85473268
(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
1-[4-(4-Bromophenyl)phenyl]hexane-1,6-diol
CID 11233364
7-Bromo-2-naphthalenemethanol
CID 22240133
(4-Bromonaphthalen-2-yl)methanol
CID 59869315
2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
Bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
CID 101389705
4'-Bromo-alpha-(phenylmethyl)[1,1'-biphenyl]-4-methanol
CID 108438

Frequently Asked Questions

What is the IUPAC name of 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol?
The IUPAC name of 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol (CID 135015641) is 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol.
What is the SMILES notation for 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol?
The canonical SMILES for 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol is OC(Cc1ccccc1)c1c(Br)c2c(c3c1CCCC3)CCCC2.
What is the InChIKey of 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol?
The InChIKey is YNMGWFFWUZLZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrO/c23-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)20(24)14-15-8-2-1-3-9-15/h1-3,8-9,20,24H,4-7,10-14H2.
What are the key properties of 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol?
1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol has a molecular weight of 385.35 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromo-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-phenylethanol is sourced from PubChem (CID 135015641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).